USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1072 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 MET CE :methyl 180:sc= -0.0344 (180deg=-0.0344) USER MOD Set 1.2: A 117 MET CE :methyl -149:sc= 0 (180deg=-0.717) USER MOD Set 2.1: A 93 SER OG : rot -68:sc= 0.932 USER MOD Set 2.2: A 96 SER OG : rot -127:sc= 0.817 USER MOD Set 3.1: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 97 MET CE :methyl 164:sc= -0.11 (180deg=-0.501) USER MOD Set 4.1: A 35 ASN : amide:sc= 0.744 K(o=1.9,f=-8.3!) USER MOD Set 4.2: A 36 LYS NZ :NH3+ 164:sc= 1.19 (180deg=-0.174) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.152 (180deg=-0.666) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0846 (180deg=-0.411) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0556 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0194) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.032 F(o=-0.95,f=-0.032) USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= 1.23 (180deg=0.373) USER MOD Single : A 18 SER OG : rot 180:sc= -1.12 USER MOD Single : A 23 GLN : amide:sc= 0.477 K(o=0.48,f=-0.49) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= 0.884 (180deg=0.745) USER MOD Single : A 56 THR OG1 : rot 57:sc= 1.21 USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0234) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0254 F(o=-0.81,f=-0.025) USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.43 USER MOD Single : A 66 MET CE :methyl 165:sc= -1.05 (180deg=-1.29) USER MOD Single : A 68 GLN : amide:sc= -0.258 K(o=-0.26,f=-1) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 75:sc= 0.688 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -50:sc= 0.352 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.423 F(o=-1.5,f=-0.42) USER MOD Single : A 91 ASN : amide:sc= -0.293 K(o=-0.29,f=-2.6!) USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0579) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -73:sc= -0.585 USER MOD Single : A 105 TYR OH : rot 30:sc= 0.0375 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -168:sc= 1.11 (180deg=0.666) USER MOD Single : A 116 TYR OH : rot 49:sc= 1.54 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 119 TYR OH : rot 180:sc= -0.689 USER MOD Single : A 121 SER OG : rot 46:sc= 0.911 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.0178 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -18.875 -6.310 -10.778 1.00 29.36 N ATOM 2 CA GLY A -1 -18.084 -6.935 -11.861 1.00 29.54 C ATOM 3 C GLY A -1 -16.882 -6.099 -12.245 1.00 29.10 C ATOM 4 O GLY A -1 -16.117 -5.666 -11.385 1.00 28.91 O ATOM 0 H1 GLY A -1 -19.688 -6.916 -10.547 1.00 29.36 H new ATOM 0 H2 GLY A -1 -18.278 -6.195 -9.934 1.00 29.36 H new ATOM 0 H3 GLY A -1 -19.216 -5.378 -11.090 1.00 29.36 H new ATOM 0 HA2 GLY A -1 -17.751 -7.923 -11.542 1.00 29.54 H new ATOM 0 HA3 GLY A -1 -18.719 -7.080 -12.735 1.00 29.54 H new ATOM 10 N SER A 0 -16.722 -5.861 -13.539 1.00 28.99 N ATOM 11 CA SER A 0 -15.582 -5.113 -14.046 1.00 28.64 C ATOM 12 C SER A 0 -15.851 -3.608 -14.019 1.00 27.50 C ATOM 13 O SER A 0 -14.919 -2.799 -14.046 1.00 27.11 O ATOM 14 CB SER A 0 -15.264 -5.565 -15.470 1.00 29.29 C ATOM 15 OG SER A 0 -15.164 -6.980 -15.538 1.00 29.85 O ATOM 0 H SER A 0 -17.371 -6.177 -14.259 1.00 28.99 H new ATOM 0 HA SER A 0 -14.726 -5.311 -13.401 1.00 28.64 H new ATOM 0 HB2 SER A 0 -16.042 -5.218 -16.149 1.00 29.29 H new ATOM 0 HB3 SER A 0 -14.328 -5.113 -15.800 1.00 29.29 H new ATOM 0 HG SER A 0 -14.962 -7.250 -16.458 1.00 29.85 H new ATOM 21 N MET A 1 -17.122 -3.238 -13.953 1.00 27.04 N ATOM 22 CA MET A 1 -17.506 -1.833 -13.938 1.00 26.01 C ATOM 23 C MET A 1 -17.587 -1.306 -12.512 1.00 25.09 C ATOM 24 O MET A 1 -18.351 -1.825 -11.693 1.00 25.06 O ATOM 25 CB MET A 1 -18.848 -1.625 -14.643 1.00 26.03 C ATOM 26 CG MET A 1 -18.771 -1.775 -16.152 1.00 26.09 C ATOM 27 SD MET A 1 -17.597 -0.628 -16.906 1.00 26.08 S ATOM 28 CE MET A 1 -18.265 0.950 -16.377 1.00 26.33 C ATOM 0 H MET A 1 -17.905 -3.891 -13.909 1.00 27.04 H new ATOM 0 HA MET A 1 -16.737 -1.277 -14.475 1.00 26.01 H new ATOM 0 HB2 MET A 1 -19.570 -2.342 -14.251 1.00 26.03 H new ATOM 0 HB3 MET A 1 -19.224 -0.630 -14.404 1.00 26.03 H new ATOM 0 HG2 MET A 1 -18.483 -2.797 -16.397 1.00 26.09 H new ATOM 0 HG3 MET A 1 -19.760 -1.611 -16.581 1.00 26.09 H new ATOM 0 HE1 MET A 1 -17.834 1.748 -16.981 1.00 26.33 H new ATOM 0 HE2 MET A 1 -19.348 0.946 -16.500 1.00 26.33 H new ATOM 0 HE3 MET A 1 -18.020 1.116 -15.328 1.00 26.33 H new ATOM 38 N PRO A 2 -16.787 -0.277 -12.194 1.00 24.39 N ATOM 39 CA PRO A 2 -16.812 0.370 -10.881 1.00 23.52 C ATOM 40 C PRO A 2 -18.170 0.999 -10.592 1.00 22.82 C ATOM 41 O PRO A 2 -18.757 1.658 -11.454 1.00 22.63 O ATOM 42 CB PRO A 2 -15.736 1.458 -10.980 1.00 23.10 C ATOM 43 CG PRO A 2 -14.888 1.071 -12.142 1.00 23.69 C ATOM 44 CD PRO A 2 -15.790 0.334 -13.089 1.00 24.48 C ATOM 0 HA PRO A 2 -16.632 -0.341 -10.074 1.00 23.52 H new ATOM 0 HB2 PRO A 2 -16.183 2.441 -11.130 1.00 23.10 H new ATOM 0 HB3 PRO A 2 -15.147 1.512 -10.065 1.00 23.10 H new ATOM 0 HG2 PRO A 2 -14.457 1.951 -12.620 1.00 23.69 H new ATOM 0 HG3 PRO A 2 -14.057 0.441 -11.825 1.00 23.69 H new ATOM 0 HD2 PRO A 2 -16.254 1.007 -13.810 1.00 24.48 H new ATOM 0 HD3 PRO A 2 -15.246 -0.418 -13.660 1.00 24.48 H new ATOM 52 N PRO A 3 -18.708 0.782 -9.388 1.00 22.54 N ATOM 53 CA PRO A 3 -19.993 1.345 -8.990 1.00 21.97 C ATOM 54 C PRO A 3 -19.888 2.825 -8.624 1.00 21.06 C ATOM 55 O PRO A 3 -19.017 3.222 -7.844 1.00 20.64 O ATOM 56 CB PRO A 3 -20.378 0.509 -7.772 1.00 21.96 C ATOM 57 CG PRO A 3 -19.081 0.081 -7.178 1.00 22.48 C ATOM 58 CD PRO A 3 -18.106 -0.040 -8.321 1.00 22.87 C ATOM 0 HA PRO A 3 -20.727 1.308 -9.795 1.00 21.97 H new ATOM 0 HB2 PRO A 3 -20.965 1.092 -7.062 1.00 21.96 H new ATOM 0 HB3 PRO A 3 -20.985 -0.350 -8.058 1.00 21.96 H new ATOM 0 HG2 PRO A 3 -18.731 0.808 -6.445 1.00 22.48 H new ATOM 0 HG3 PRO A 3 -19.188 -0.870 -6.657 1.00 22.48 H new ATOM 0 HD2 PRO A 3 -17.118 0.326 -8.044 1.00 22.87 H new ATOM 0 HD3 PRO A 3 -17.985 -1.077 -8.635 1.00 22.87 H new ATOM 66 N PRO A 4 -20.761 3.664 -9.201 1.00 20.84 N ATOM 67 CA PRO A 4 -20.786 5.099 -8.913 1.00 20.09 C ATOM 68 C PRO A 4 -21.176 5.384 -7.466 1.00 19.53 C ATOM 69 O PRO A 4 -22.241 4.968 -7.002 1.00 19.27 O ATOM 70 CB PRO A 4 -21.844 5.649 -9.876 1.00 20.21 C ATOM 71 CG PRO A 4 -22.692 4.478 -10.230 1.00 21.02 C ATOM 72 CD PRO A 4 -21.788 3.281 -10.186 1.00 21.43 C ATOM 0 HA PRO A 4 -19.806 5.558 -9.043 1.00 20.09 H new ATOM 0 HB2 PRO A 4 -22.434 6.435 -9.406 1.00 20.21 H new ATOM 0 HB3 PRO A 4 -21.382 6.084 -10.762 1.00 20.21 H new ATOM 0 HG2 PRO A 4 -23.518 4.368 -9.527 1.00 21.02 H new ATOM 0 HG3 PRO A 4 -23.130 4.599 -11.221 1.00 21.02 H new ATOM 0 HD2 PRO A 4 -22.325 2.383 -9.879 1.00 21.43 H new ATOM 0 HD3 PRO A 4 -21.350 3.072 -11.162 1.00 21.43 H new ATOM 80 N GLN A 5 -20.307 6.082 -6.754 1.00 19.48 N ATOM 81 CA GLN A 5 -20.552 6.402 -5.355 1.00 19.08 C ATOM 82 C GLN A 5 -21.234 7.757 -5.233 1.00 18.23 C ATOM 83 O GLN A 5 -20.583 8.772 -4.978 1.00 17.82 O ATOM 84 CB GLN A 5 -19.242 6.400 -4.566 1.00 19.59 C ATOM 85 CG GLN A 5 -18.517 5.064 -4.585 1.00 19.61 C ATOM 86 CD GLN A 5 -17.185 5.110 -3.859 1.00 20.26 C ATOM 87 OE1 GLN A 5 -17.094 5.931 -2.823 1.00 20.54 O flip ATOM 88 NE2 GLN A 5 -16.245 4.407 -4.223 1.00 20.60 N flip ATOM 0 H GLN A 5 -19.425 6.439 -7.121 1.00 19.48 H new ATOM 0 HA GLN A 5 -21.210 5.639 -4.939 1.00 19.08 H new ATOM 0 HB2 GLN A 5 -18.582 7.167 -4.973 1.00 19.59 H new ATOM 0 HB3 GLN A 5 -19.451 6.675 -3.532 1.00 19.59 H new ATOM 0 HG2 GLN A 5 -19.150 4.305 -4.126 1.00 19.61 H new ATOM 0 HG3 GLN A 5 -18.352 4.759 -5.619 1.00 19.61 H new ATOM 0 HE21 GLN A 5 -16.353 3.787 -5.026 1.00 20.60 H new ATOM 0 HE22 GLN A 5 -15.357 4.444 -3.722 1.00 20.60 H new ATOM 97 N LYS A 6 -22.546 7.770 -5.432 1.00 18.08 N ATOM 98 CA LYS A 6 -23.324 8.997 -5.321 1.00 17.42 C ATOM 99 C LYS A 6 -23.403 9.435 -3.867 1.00 16.78 C ATOM 100 O LYS A 6 -23.309 10.623 -3.552 1.00 16.87 O ATOM 101 CB LYS A 6 -24.731 8.794 -5.888 1.00 17.87 C ATOM 102 CG LYS A 6 -24.750 8.398 -7.354 1.00 18.15 C ATOM 103 CD LYS A 6 -24.102 9.459 -8.231 1.00 18.50 C ATOM 104 CE LYS A 6 -24.209 9.101 -9.705 1.00 18.81 C ATOM 105 NZ LYS A 6 -25.620 8.935 -10.138 1.00 18.97 N ATOM 0 H LYS A 6 -23.094 6.944 -5.671 1.00 18.08 H new ATOM 0 HA LYS A 6 -22.828 9.776 -5.899 1.00 17.42 H new ATOM 0 HB2 LYS A 6 -25.239 8.025 -5.307 1.00 17.87 H new ATOM 0 HB3 LYS A 6 -25.299 9.716 -5.763 1.00 17.87 H new ATOM 0 HG2 LYS A 6 -24.227 7.450 -7.482 1.00 18.15 H new ATOM 0 HG3 LYS A 6 -25.780 8.239 -7.675 1.00 18.15 H new ATOM 0 HD2 LYS A 6 -24.580 10.422 -8.053 1.00 18.50 H new ATOM 0 HD3 LYS A 6 -23.053 9.569 -7.957 1.00 18.50 H new ATOM 0 HE2 LYS A 6 -23.736 9.881 -10.302 1.00 18.81 H new ATOM 0 HE3 LYS A 6 -23.661 8.178 -9.894 1.00 18.81 H new ATOM 0 HZ1 LYS A 6 -25.666 8.928 -11.177 1.00 18.97 H new ATOM 0 HZ2 LYS A 6 -25.993 8.037 -9.769 1.00 18.97 H new ATOM 0 HZ3 LYS A 6 -26.191 9.724 -9.772 1.00 18.97 H new ATOM 119 N ILE A 7 -23.573 8.461 -2.986 1.00 16.28 N ATOM 120 CA ILE A 7 -23.587 8.711 -1.555 1.00 15.80 C ATOM 121 C ILE A 7 -22.380 8.041 -0.906 1.00 15.32 C ATOM 122 O ILE A 7 -22.403 6.838 -0.631 1.00 15.18 O ATOM 123 CB ILE A 7 -24.884 8.186 -0.891 1.00 15.71 C ATOM 124 CG1 ILE A 7 -26.121 8.833 -1.527 1.00 16.07 C ATOM 125 CG2 ILE A 7 -24.861 8.446 0.611 1.00 15.48 C ATOM 126 CD1 ILE A 7 -26.196 10.336 -1.348 1.00 16.36 C ATOM 0 H ILE A 7 -23.704 7.482 -3.241 1.00 16.28 H new ATOM 0 HA ILE A 7 -23.546 9.790 -1.406 1.00 15.80 H new ATOM 0 HB ILE A 7 -24.937 7.110 -1.055 1.00 15.71 H new ATOM 0 HG12 ILE A 7 -26.130 8.604 -2.593 1.00 16.07 H new ATOM 0 HG13 ILE A 7 -27.015 8.382 -1.097 1.00 16.07 H new ATOM 0 HG21 ILE A 7 -25.781 8.070 1.059 1.00 15.48 H new ATOM 0 HG22 ILE A 7 -24.006 7.937 1.055 1.00 15.48 H new ATOM 0 HG23 ILE A 7 -24.780 9.518 0.794 1.00 15.48 H new ATOM 0 HD11 ILE A 7 -27.099 10.715 -1.826 1.00 16.36 H new ATOM 0 HD12 ILE A 7 -26.221 10.575 -0.285 1.00 16.36 H new ATOM 0 HD13 ILE A 7 -25.322 10.801 -1.804 1.00 16.36 H new ATOM 138 N PRO A 8 -21.293 8.798 -0.694 1.00 15.19 N ATOM 139 CA PRO A 8 -20.088 8.290 -0.035 1.00 14.91 C ATOM 140 C PRO A 8 -20.342 7.969 1.436 1.00 14.32 C ATOM 141 O PRO A 8 -20.175 8.822 2.308 1.00 14.51 O ATOM 142 CB PRO A 8 -19.076 9.438 -0.165 1.00 15.11 C ATOM 143 CG PRO A 8 -19.651 10.360 -1.188 1.00 15.30 C ATOM 144 CD PRO A 8 -21.139 10.204 -1.096 1.00 15.48 C ATOM 0 HA PRO A 8 -19.741 7.360 -0.486 1.00 14.91 H new ATOM 0 HB2 PRO A 8 -18.935 9.948 0.788 1.00 15.11 H new ATOM 0 HB3 PRO A 8 -18.099 9.067 -0.475 1.00 15.11 H new ATOM 0 HG2 PRO A 8 -19.354 11.391 -0.995 1.00 15.30 H new ATOM 0 HG3 PRO A 8 -19.293 10.107 -2.186 1.00 15.30 H new ATOM 0 HD2 PRO A 8 -21.573 10.884 -0.363 1.00 15.48 H new ATOM 0 HD3 PRO A 8 -21.627 10.408 -2.049 1.00 15.48 H new ATOM 152 N SER A 9 -20.750 6.742 1.705 1.00 13.73 N ATOM 153 CA SER A 9 -21.052 6.315 3.060 1.00 13.20 C ATOM 154 C SER A 9 -19.790 5.850 3.783 1.00 12.19 C ATOM 155 O SER A 9 -19.778 4.817 4.451 1.00 11.80 O ATOM 156 CB SER A 9 -22.100 5.203 3.014 1.00 13.42 C ATOM 157 OG SER A 9 -21.815 4.285 1.970 1.00 13.76 O ATOM 0 H SER A 9 -20.881 6.019 0.998 1.00 13.73 H new ATOM 0 HA SER A 9 -21.452 7.160 3.621 1.00 13.20 H new ATOM 0 HB2 SER A 9 -22.123 4.679 3.969 1.00 13.42 H new ATOM 0 HB3 SER A 9 -23.089 5.635 2.864 1.00 13.42 H new ATOM 0 HG SER A 9 -22.496 3.581 1.959 1.00 13.76 H new ATOM 163 N VAL A 10 -18.729 6.632 3.652 1.00 11.94 N ATOM 164 CA VAL A 10 -17.450 6.298 4.258 1.00 11.10 C ATOM 165 C VAL A 10 -17.152 7.227 5.428 1.00 10.38 C ATOM 166 O VAL A 10 -16.000 7.421 5.805 1.00 10.56 O ATOM 167 CB VAL A 10 -16.298 6.370 3.229 1.00 11.34 C ATOM 168 CG1 VAL A 10 -16.491 5.329 2.137 1.00 11.49 C ATOM 169 CG2 VAL A 10 -16.195 7.761 2.620 1.00 11.93 C ATOM 0 H VAL A 10 -18.730 7.507 3.128 1.00 11.94 H new ATOM 0 HA VAL A 10 -17.521 5.273 4.621 1.00 11.10 H new ATOM 0 HB VAL A 10 -15.366 6.158 3.753 1.00 11.34 H new ATOM 0 HG11 VAL A 10 -15.671 5.395 1.422 1.00 11.49 H new ATOM 0 HG12 VAL A 10 -16.506 4.334 2.582 1.00 11.49 H new ATOM 0 HG13 VAL A 10 -17.435 5.511 1.624 1.00 11.49 H new ATOM 0 HG21 VAL A 10 -15.377 7.783 1.900 1.00 11.93 H new ATOM 0 HG22 VAL A 10 -17.129 8.007 2.115 1.00 11.93 H new ATOM 0 HG23 VAL A 10 -16.005 8.490 3.408 1.00 11.93 H new ATOM 179 N ARG A 11 -18.205 7.790 6.001 1.00 9.76 N ATOM 180 CA ARG A 11 -18.072 8.721 7.116 1.00 9.19 C ATOM 181 C ARG A 11 -17.536 8.040 8.389 1.00 8.44 C ATOM 182 O ARG A 11 -16.642 8.591 9.032 1.00 8.32 O ATOM 183 CB ARG A 11 -19.407 9.423 7.395 1.00 9.37 C ATOM 184 CG ARG A 11 -19.920 10.228 6.211 1.00 9.61 C ATOM 185 CD ARG A 11 -21.180 11.006 6.554 1.00 10.18 C ATOM 186 NE ARG A 11 -21.716 11.701 5.385 1.00 10.69 N ATOM 187 CZ ARG A 11 -22.465 12.805 5.439 1.00 11.43 C ATOM 188 NH1 ARG A 11 -22.772 13.355 6.606 1.00 11.75 N ATOM 189 NH2 ARG A 11 -22.916 13.350 4.317 1.00 12.04 N ATOM 0 H ARG A 11 -19.168 7.618 5.711 1.00 9.76 H new ATOM 0 HA ARG A 11 -17.335 9.469 6.823 1.00 9.19 H new ATOM 0 HB2 ARG A 11 -20.152 8.676 7.669 1.00 9.37 H new ATOM 0 HB3 ARG A 11 -19.289 10.085 8.253 1.00 9.37 H new ATOM 0 HG2 ARG A 11 -19.145 10.920 5.880 1.00 9.61 H new ATOM 0 HG3 ARG A 11 -20.124 9.556 5.377 1.00 9.61 H new ATOM 0 HD2 ARG A 11 -21.933 10.325 6.950 1.00 10.18 H new ATOM 0 HD3 ARG A 11 -20.960 11.729 7.339 1.00 10.18 H new ATOM 0 HE ARG A 11 -21.503 11.316 4.465 1.00 10.69 H new ATOM 0 HH11 ARG A 11 -22.435 12.935 7.472 1.00 11.75 H new ATOM 0 HH12 ARG A 11 -23.345 14.198 6.637 1.00 11.75 H new ATOM 0 HH21 ARG A 11 -22.690 12.926 3.417 1.00 12.04 H new ATOM 0 HH22 ARG A 11 -23.489 14.193 4.354 1.00 12.04 H new ATOM 203 N PRO A 12 -18.055 6.847 8.789 1.00 8.19 N ATOM 204 CA PRO A 12 -17.579 6.145 9.997 1.00 7.75 C ATOM 205 C PRO A 12 -16.070 5.897 9.990 1.00 6.80 C ATOM 206 O PRO A 12 -15.583 4.992 9.306 1.00 6.68 O ATOM 207 CB PRO A 12 -18.333 4.814 9.966 1.00 8.08 C ATOM 208 CG PRO A 12 -19.551 5.086 9.162 1.00 8.79 C ATOM 209 CD PRO A 12 -19.140 6.092 8.126 1.00 8.66 C ATOM 0 HA PRO A 12 -17.761 6.737 10.894 1.00 7.75 H new ATOM 0 HB2 PRO A 12 -17.728 4.027 9.514 1.00 8.08 H new ATOM 0 HB3 PRO A 12 -18.589 4.481 10.972 1.00 8.08 H new ATOM 0 HG2 PRO A 12 -19.924 4.174 8.696 1.00 8.79 H new ATOM 0 HG3 PRO A 12 -20.354 5.475 9.788 1.00 8.79 H new ATOM 0 HD2 PRO A 12 -18.793 5.609 7.213 1.00 8.66 H new ATOM 0 HD3 PRO A 12 -19.969 6.742 7.847 1.00 8.66 H new ATOM 217 N PHE A 13 -15.345 6.715 10.758 1.00 6.42 N ATOM 218 CA PHE A 13 -13.885 6.624 10.877 1.00 5.76 C ATOM 219 C PHE A 13 -13.179 6.880 9.547 1.00 4.90 C ATOM 220 O PHE A 13 -11.987 6.594 9.407 1.00 4.75 O ATOM 221 CB PHE A 13 -13.452 5.262 11.436 1.00 6.03 C ATOM 222 CG PHE A 13 -13.733 5.078 12.901 1.00 7.08 C ATOM 223 CD1 PHE A 13 -12.793 5.451 13.848 1.00 7.73 C ATOM 224 CD2 PHE A 13 -14.929 4.527 13.331 1.00 7.67 C ATOM 225 CE1 PHE A 13 -13.041 5.280 15.196 1.00 8.84 C ATOM 226 CE2 PHE A 13 -15.182 4.353 14.678 1.00 8.79 C ATOM 227 CZ PHE A 13 -14.238 4.730 15.611 1.00 9.33 C ATOM 0 H PHE A 13 -15.755 7.463 11.318 1.00 6.42 H new ATOM 0 HA PHE A 13 -13.587 7.406 11.575 1.00 5.76 H new ATOM 0 HB2 PHE A 13 -13.960 4.475 10.879 1.00 6.03 H new ATOM 0 HB3 PHE A 13 -12.383 5.135 11.264 1.00 6.03 H new ATOM 0 HD1 PHE A 13 -11.855 5.881 13.528 1.00 7.73 H new ATOM 0 HD2 PHE A 13 -15.672 4.230 12.605 1.00 7.67 H new ATOM 0 HE1 PHE A 13 -12.300 5.576 15.924 1.00 8.84 H new ATOM 0 HE2 PHE A 13 -16.118 3.922 15.001 1.00 8.79 H new ATOM 0 HZ PHE A 13 -14.435 4.595 16.664 1.00 9.33 H new ATOM 237 N LYS A 14 -13.919 7.448 8.593 1.00 4.79 N ATOM 238 CA LYS A 14 -13.425 7.660 7.235 1.00 4.42 C ATOM 239 C LYS A 14 -12.935 6.352 6.622 1.00 3.77 C ATOM 240 O LYS A 14 -11.736 6.074 6.611 1.00 4.11 O ATOM 241 CB LYS A 14 -12.311 8.713 7.203 1.00 5.56 C ATOM 242 CG LYS A 14 -12.802 10.137 7.406 1.00 6.23 C ATOM 243 CD LYS A 14 -13.769 10.557 6.309 1.00 6.88 C ATOM 244 CE LYS A 14 -14.100 12.041 6.385 1.00 7.76 C ATOM 245 NZ LYS A 14 -14.775 12.405 7.659 1.00 8.26 N ATOM 0 H LYS A 14 -14.875 7.772 8.741 1.00 4.79 H new ATOM 0 HA LYS A 14 -14.259 8.031 6.639 1.00 4.42 H new ATOM 0 HB2 LYS A 14 -11.580 8.478 7.977 1.00 5.56 H new ATOM 0 HB3 LYS A 14 -11.793 8.651 6.246 1.00 5.56 H new ATOM 0 HG2 LYS A 14 -13.293 10.219 8.376 1.00 6.23 H new ATOM 0 HG3 LYS A 14 -11.951 10.817 7.422 1.00 6.23 H new ATOM 0 HD2 LYS A 14 -13.334 10.331 5.335 1.00 6.88 H new ATOM 0 HD3 LYS A 14 -14.687 9.975 6.391 1.00 6.88 H new ATOM 0 HE2 LYS A 14 -13.183 12.621 6.284 1.00 7.76 H new ATOM 0 HE3 LYS A 14 -14.742 12.311 5.546 1.00 7.76 H new ATOM 0 HZ1 LYS A 14 -15.041 13.410 7.636 1.00 8.26 H new ATOM 0 HZ2 LYS A 14 -15.629 11.823 7.778 1.00 8.26 H new ATOM 0 HZ3 LYS A 14 -14.128 12.236 8.455 1.00 8.26 H new ATOM 259 N GLN A 15 -13.872 5.560 6.114 1.00 3.29 N ATOM 260 CA GLN A 15 -13.552 4.274 5.498 1.00 3.10 C ATOM 261 C GLN A 15 -12.774 4.480 4.202 1.00 2.14 C ATOM 262 O GLN A 15 -13.359 4.510 3.115 1.00 2.46 O ATOM 263 CB GLN A 15 -14.832 3.482 5.211 1.00 3.83 C ATOM 264 CG GLN A 15 -15.672 3.191 6.444 1.00 4.82 C ATOM 265 CD GLN A 15 -16.942 2.422 6.119 1.00 5.82 C ATOM 266 OE1 GLN A 15 -16.889 1.592 5.087 1.00 6.53 O flip ATOM 267 NE2 GLN A 15 -17.961 2.572 6.792 1.00 6.14 N flip ATOM 0 H GLN A 15 -14.867 5.786 6.116 1.00 3.29 H new ATOM 0 HA GLN A 15 -12.934 3.709 6.196 1.00 3.10 H new ATOM 0 HB2 GLN A 15 -15.437 4.038 4.495 1.00 3.83 H new ATOM 0 HB3 GLN A 15 -14.564 2.538 4.736 1.00 3.83 H new ATOM 0 HG2 GLN A 15 -15.078 2.619 7.157 1.00 4.82 H new ATOM 0 HG3 GLN A 15 -15.935 4.131 6.930 1.00 4.82 H new ATOM 0 HE21 GLN A 15 -17.961 3.221 7.579 1.00 6.14 H new ATOM 0 HE22 GLN A 15 -18.805 2.047 6.563 1.00 6.14 H new ATOM 276 N ARG A 16 -11.454 4.615 4.337 1.00 1.86 N ATOM 277 CA ARG A 16 -10.563 4.900 3.215 1.00 1.88 C ATOM 278 C ARG A 16 -10.835 6.297 2.660 1.00 1.53 C ATOM 279 O ARG A 16 -11.724 7.007 3.136 1.00 1.61 O ATOM 280 CB ARG A 16 -10.705 3.848 2.106 1.00 2.83 C ATOM 281 CG ARG A 16 -10.420 2.425 2.566 1.00 3.53 C ATOM 282 CD ARG A 16 -9.042 2.307 3.197 1.00 4.61 C ATOM 283 NE ARG A 16 -8.708 0.921 3.525 1.00 5.06 N ATOM 284 CZ ARG A 16 -8.093 0.541 4.644 1.00 6.06 C ATOM 285 NH1 ARG A 16 -7.811 1.429 5.590 1.00 6.69 N ATOM 286 NH2 ARG A 16 -7.782 -0.737 4.827 1.00 6.68 N ATOM 0 H ARG A 16 -10.972 4.529 5.232 1.00 1.86 H new ATOM 0 HA ARG A 16 -9.538 4.860 3.585 1.00 1.88 H new ATOM 0 HB2 ARG A 16 -11.717 3.893 1.703 1.00 2.83 H new ATOM 0 HB3 ARG A 16 -10.026 4.099 1.291 1.00 2.83 H new ATOM 0 HG2 ARG A 16 -11.178 2.116 3.286 1.00 3.53 H new ATOM 0 HG3 ARG A 16 -10.491 1.746 1.716 1.00 3.53 H new ATOM 0 HD2 ARG A 16 -8.294 2.708 2.513 1.00 4.61 H new ATOM 0 HD3 ARG A 16 -9.004 2.913 4.102 1.00 4.61 H new ATOM 0 HE ARG A 16 -8.963 0.198 2.852 1.00 5.06 H new ATOM 0 HH11 ARG A 16 -8.065 2.408 5.462 1.00 6.69 H new ATOM 0 HH12 ARG A 16 -7.340 1.132 6.444 1.00 6.69 H new ATOM 0 HH21 ARG A 16 -8.014 -1.426 4.111 1.00 6.68 H new ATOM 0 HH22 ARG A 16 -7.311 -1.030 5.683 1.00 6.68 H new ATOM 300 N LYS A 17 -10.048 6.706 1.681 1.00 1.34 N ATOM 301 CA LYS A 17 -10.243 7.998 1.043 1.00 1.09 C ATOM 302 C LYS A 17 -10.601 7.801 -0.420 1.00 1.00 C ATOM 303 O LYS A 17 -10.141 6.851 -1.052 1.00 1.08 O ATOM 304 CB LYS A 17 -8.983 8.866 1.157 1.00 1.13 C ATOM 305 CG LYS A 17 -8.621 9.272 2.580 1.00 1.70 C ATOM 306 CD LYS A 17 -9.824 9.817 3.335 1.00 2.23 C ATOM 307 CE LYS A 17 -9.412 10.665 4.530 1.00 3.20 C ATOM 308 NZ LYS A 17 -8.361 10.012 5.356 1.00 3.96 N ATOM 0 H LYS A 17 -9.268 6.164 1.310 1.00 1.34 H new ATOM 0 HA LYS A 17 -11.059 8.511 1.553 1.00 1.09 H new ATOM 0 HB2 LYS A 17 -8.143 8.323 0.723 1.00 1.13 H new ATOM 0 HB3 LYS A 17 -9.123 9.767 0.560 1.00 1.13 H new ATOM 0 HG2 LYS A 17 -8.217 8.411 3.112 1.00 1.70 H new ATOM 0 HG3 LYS A 17 -7.835 10.027 2.554 1.00 1.70 H new ATOM 0 HD2 LYS A 17 -10.435 10.416 2.659 1.00 2.23 H new ATOM 0 HD3 LYS A 17 -10.444 8.988 3.676 1.00 2.23 H new ATOM 0 HE2 LYS A 17 -9.046 11.630 4.178 1.00 3.20 H new ATOM 0 HE3 LYS A 17 -10.286 10.863 5.150 1.00 3.20 H new ATOM 0 HZ1 LYS A 17 -8.387 10.400 6.321 1.00 3.96 H new ATOM 0 HZ2 LYS A 17 -8.534 8.987 5.391 1.00 3.96 H new ATOM 0 HZ3 LYS A 17 -7.427 10.192 4.935 1.00 3.96 H new ATOM 322 N SER A 18 -11.427 8.693 -0.953 1.00 0.92 N ATOM 323 CA SER A 18 -11.805 8.637 -2.356 1.00 0.91 C ATOM 324 C SER A 18 -10.596 8.957 -3.220 1.00 0.80 C ATOM 325 O SER A 18 -9.611 9.485 -2.712 1.00 0.72 O ATOM 326 CB SER A 18 -12.932 9.627 -2.648 1.00 0.97 C ATOM 327 OG SER A 18 -12.492 10.964 -2.482 1.00 0.91 O ATOM 0 H SER A 18 -11.847 9.463 -0.433 1.00 0.92 H new ATOM 0 HA SER A 18 -12.161 7.633 -2.586 1.00 0.91 H new ATOM 0 HB2 SER A 18 -13.292 9.483 -3.667 1.00 0.97 H new ATOM 0 HB3 SER A 18 -13.773 9.432 -1.982 1.00 0.97 H new ATOM 0 HG SER A 18 -13.231 11.578 -2.676 1.00 0.91 H new ATOM 333 N LEU A 19 -10.670 8.665 -4.510 1.00 0.83 N ATOM 334 CA LEU A 19 -9.535 8.878 -5.403 1.00 0.79 C ATOM 335 C LEU A 19 -9.062 10.323 -5.310 1.00 0.74 C ATOM 336 O LEU A 19 -7.870 10.605 -5.153 1.00 0.66 O ATOM 337 CB LEU A 19 -9.930 8.536 -6.841 1.00 0.91 C ATOM 338 CG LEU A 19 -8.903 8.921 -7.906 1.00 0.95 C ATOM 339 CD1 LEU A 19 -7.591 8.190 -7.678 1.00 0.91 C ATOM 340 CD2 LEU A 19 -9.444 8.627 -9.294 1.00 1.11 C ATOM 0 H LEU A 19 -11.499 8.281 -4.963 1.00 0.83 H new ATOM 0 HA LEU A 19 -8.717 8.224 -5.102 1.00 0.79 H new ATOM 0 HB2 LEU A 19 -10.112 7.463 -6.906 1.00 0.91 H new ATOM 0 HB3 LEU A 19 -10.872 9.034 -7.070 1.00 0.91 H new ATOM 0 HG LEU A 19 -8.713 9.992 -7.828 1.00 0.95 H new ATOM 0 HD11 LEU A 19 -6.875 8.479 -8.447 1.00 0.91 H new ATOM 0 HD12 LEU A 19 -7.195 8.451 -6.697 1.00 0.91 H new ATOM 0 HD13 LEU A 19 -7.761 7.114 -7.726 1.00 0.91 H new ATOM 0 HD21 LEU A 19 -8.701 8.907 -10.041 1.00 1.11 H new ATOM 0 HD22 LEU A 19 -9.663 7.563 -9.381 1.00 1.11 H new ATOM 0 HD23 LEU A 19 -10.357 9.200 -9.458 1.00 1.11 H new ATOM 352 N ALA A 20 -10.022 11.223 -5.383 1.00 0.80 N ATOM 353 CA ALA A 20 -9.770 12.645 -5.251 1.00 0.81 C ATOM 354 C ALA A 20 -9.145 12.988 -3.900 1.00 0.72 C ATOM 355 O ALA A 20 -8.104 13.648 -3.845 1.00 0.71 O ATOM 356 CB ALA A 20 -11.067 13.405 -5.449 1.00 0.94 C ATOM 0 H ALA A 20 -11.003 10.988 -5.536 1.00 0.80 H new ATOM 0 HA ALA A 20 -9.053 12.940 -6.017 1.00 0.81 H new ATOM 0 HB1 ALA A 20 -10.881 14.474 -5.350 1.00 0.94 H new ATOM 0 HB2 ALA A 20 -11.463 13.196 -6.443 1.00 0.94 H new ATOM 0 HB3 ALA A 20 -11.791 13.092 -4.697 1.00 0.94 H new ATOM 362 N ILE A 21 -9.762 12.530 -2.815 1.00 0.71 N ATOM 363 CA ILE A 21 -9.248 12.829 -1.483 1.00 0.69 C ATOM 364 C ILE A 21 -7.855 12.232 -1.294 1.00 0.56 C ATOM 365 O ILE A 21 -7.037 12.777 -0.560 1.00 0.53 O ATOM 366 CB ILE A 21 -10.188 12.333 -0.359 1.00 0.82 C ATOM 367 CG1 ILE A 21 -11.559 13.012 -0.456 1.00 0.97 C ATOM 368 CG2 ILE A 21 -9.563 12.605 1.002 1.00 0.88 C ATOM 369 CD1 ILE A 21 -11.523 14.511 -0.233 1.00 1.64 C ATOM 0 H ILE A 21 -10.607 11.958 -2.830 1.00 0.71 H new ATOM 0 HA ILE A 21 -9.191 13.915 -1.409 1.00 0.69 H new ATOM 0 HB ILE A 21 -10.329 11.259 -0.478 1.00 0.82 H new ATOM 0 HG12 ILE A 21 -11.983 12.812 -1.440 1.00 0.97 H new ATOM 0 HG13 ILE A 21 -12.228 12.562 0.277 1.00 0.97 H new ATOM 0 HG21 ILE A 21 -10.232 12.252 1.787 1.00 0.88 H new ATOM 0 HG22 ILE A 21 -8.610 12.082 1.076 1.00 0.88 H new ATOM 0 HG23 ILE A 21 -9.399 13.676 1.119 1.00 0.88 H new ATOM 0 HD11 ILE A 21 -12.531 14.916 -0.318 1.00 1.64 H new ATOM 0 HD12 ILE A 21 -11.130 14.722 0.762 1.00 1.64 H new ATOM 0 HD13 ILE A 21 -10.881 14.975 -0.982 1.00 1.64 H new ATOM 381 N ARG A 22 -7.573 11.126 -1.977 1.00 0.52 N ATOM 382 CA ARG A 22 -6.255 10.503 -1.894 1.00 0.44 C ATOM 383 C ARG A 22 -5.195 11.457 -2.417 1.00 0.40 C ATOM 384 O ARG A 22 -4.128 11.594 -1.821 1.00 0.39 O ATOM 385 CB ARG A 22 -6.206 9.186 -2.676 1.00 0.45 C ATOM 386 CG ARG A 22 -7.095 8.100 -2.100 1.00 0.71 C ATOM 387 CD ARG A 22 -7.041 6.828 -2.931 1.00 1.22 C ATOM 388 NE ARG A 22 -8.143 5.925 -2.600 1.00 1.53 N ATOM 389 CZ ARG A 22 -8.142 4.615 -2.831 1.00 2.00 C ATOM 390 NH1 ARG A 22 -7.060 4.016 -3.311 1.00 2.59 N ATOM 391 NH2 ARG A 22 -9.229 3.901 -2.561 1.00 2.26 N ATOM 0 H ARG A 22 -8.233 10.646 -2.589 1.00 0.52 H new ATOM 0 HA ARG A 22 -6.056 10.278 -0.846 1.00 0.44 H new ATOM 0 HB2 ARG A 22 -6.502 9.375 -3.708 1.00 0.45 H new ATOM 0 HB3 ARG A 22 -5.177 8.826 -2.700 1.00 0.45 H new ATOM 0 HG2 ARG A 22 -6.785 7.880 -1.078 1.00 0.71 H new ATOM 0 HG3 ARG A 22 -8.123 8.459 -2.051 1.00 0.71 H new ATOM 0 HD2 ARG A 22 -7.083 7.082 -3.990 1.00 1.22 H new ATOM 0 HD3 ARG A 22 -6.091 6.322 -2.762 1.00 1.22 H new ATOM 0 HE ARG A 22 -8.971 6.328 -2.161 1.00 1.53 H new ATOM 0 HH11 ARG A 22 -6.220 4.560 -3.506 1.00 2.59 H new ATOM 0 HH12 ARG A 22 -7.068 3.011 -3.485 1.00 2.59 H new ATOM 0 HH21 ARG A 22 -10.057 4.358 -2.179 1.00 2.26 H new ATOM 0 HH22 ARG A 22 -9.235 2.896 -2.736 1.00 2.26 H new ATOM 405 N GLN A 23 -5.506 12.141 -3.514 1.00 0.46 N ATOM 406 CA GLN A 23 -4.592 13.125 -4.074 1.00 0.51 C ATOM 407 C GLN A 23 -4.367 14.266 -3.088 1.00 0.50 C ATOM 408 O GLN A 23 -3.272 14.831 -3.018 1.00 0.52 O ATOM 409 CB GLN A 23 -5.118 13.656 -5.410 1.00 0.68 C ATOM 410 CG GLN A 23 -5.135 12.602 -6.505 1.00 1.29 C ATOM 411 CD GLN A 23 -5.618 13.131 -7.841 1.00 1.51 C ATOM 412 OE1 GLN A 23 -6.433 14.053 -7.905 1.00 2.16 O ATOM 413 NE2 GLN A 23 -5.113 12.553 -8.922 1.00 1.97 N ATOM 0 H GLN A 23 -6.380 12.031 -4.029 1.00 0.46 H new ATOM 0 HA GLN A 23 -3.634 12.638 -4.259 1.00 0.51 H new ATOM 0 HB2 GLN A 23 -6.128 14.041 -5.269 1.00 0.68 H new ATOM 0 HB3 GLN A 23 -4.499 14.494 -5.730 1.00 0.68 H new ATOM 0 HG2 GLN A 23 -4.130 12.197 -6.625 1.00 1.29 H new ATOM 0 HG3 GLN A 23 -5.777 11.777 -6.195 1.00 1.29 H new ATOM 0 HE21 GLN A 23 -4.440 11.792 -8.826 1.00 1.97 H new ATOM 0 HE22 GLN A 23 -5.397 12.869 -9.849 1.00 1.97 H new ATOM 422 N GLU A 24 -5.400 14.597 -2.317 1.00 0.53 N ATOM 423 CA GLU A 24 -5.282 15.617 -1.280 1.00 0.59 C ATOM 424 C GLU A 24 -4.501 15.089 -0.083 1.00 0.55 C ATOM 425 O GLU A 24 -3.712 15.816 0.526 1.00 0.54 O ATOM 426 CB GLU A 24 -6.658 16.093 -0.826 1.00 0.71 C ATOM 427 CG GLU A 24 -7.071 17.432 -1.418 1.00 1.20 C ATOM 428 CD GLU A 24 -7.179 17.411 -2.928 1.00 2.01 C ATOM 429 OE1 GLU A 24 -6.172 17.696 -3.606 1.00 2.49 O ATOM 430 OE2 GLU A 24 -8.280 17.126 -3.444 1.00 2.83 O ATOM 0 H GLU A 24 -6.326 14.175 -2.391 1.00 0.53 H new ATOM 0 HA GLU A 24 -4.741 16.461 -1.709 1.00 0.59 H new ATOM 0 HB2 GLU A 24 -7.400 15.342 -1.098 1.00 0.71 H new ATOM 0 HB3 GLU A 24 -6.665 16.169 0.261 1.00 0.71 H new ATOM 0 HG2 GLU A 24 -8.032 17.727 -0.996 1.00 1.20 H new ATOM 0 HG3 GLU A 24 -6.346 18.191 -1.123 1.00 1.20 H new ATOM 437 N GLU A 25 -4.731 13.825 0.253 1.00 0.56 N ATOM 438 CA GLU A 25 -4.051 13.185 1.369 1.00 0.56 C ATOM 439 C GLU A 25 -2.547 13.199 1.135 1.00 0.49 C ATOM 440 O GLU A 25 -1.780 13.638 1.989 1.00 0.50 O ATOM 441 CB GLU A 25 -4.537 11.737 1.507 1.00 0.62 C ATOM 442 CG GLU A 25 -4.162 11.074 2.823 1.00 1.29 C ATOM 443 CD GLU A 25 -4.952 11.613 3.994 1.00 1.57 C ATOM 444 OE1 GLU A 25 -4.608 12.697 4.505 1.00 1.87 O ATOM 445 OE2 GLU A 25 -5.923 10.950 4.414 1.00 2.30 O ATOM 0 H GLU A 25 -5.390 13.220 -0.237 1.00 0.56 H new ATOM 0 HA GLU A 25 -4.276 13.731 2.285 1.00 0.56 H new ATOM 0 HB2 GLU A 25 -5.622 11.718 1.400 1.00 0.62 H new ATOM 0 HB3 GLU A 25 -4.126 11.148 0.687 1.00 0.62 H new ATOM 0 HG2 GLU A 25 -4.326 9.999 2.743 1.00 1.29 H new ATOM 0 HG3 GLU A 25 -3.098 11.221 3.009 1.00 1.29 H new ATOM 452 N VAL A 26 -2.144 12.770 -0.056 1.00 0.44 N ATOM 453 CA VAL A 26 -0.736 12.775 -0.433 1.00 0.42 C ATOM 454 C VAL A 26 -0.190 14.197 -0.445 1.00 0.44 C ATOM 455 O VAL A 26 0.928 14.441 -0.001 1.00 0.46 O ATOM 456 CB VAL A 26 -0.501 12.140 -1.822 1.00 0.43 C ATOM 457 CG1 VAL A 26 0.984 11.978 -2.088 1.00 1.21 C ATOM 458 CG2 VAL A 26 -1.202 10.802 -1.931 1.00 0.85 C ATOM 0 H VAL A 26 -2.772 12.415 -0.776 1.00 0.44 H new ATOM 0 HA VAL A 26 -0.212 12.178 0.313 1.00 0.42 H new ATOM 0 HB VAL A 26 -0.921 12.808 -2.574 1.00 0.43 H new ATOM 0 HG11 VAL A 26 1.131 11.529 -3.070 1.00 1.21 H new ATOM 0 HG12 VAL A 26 1.467 12.954 -2.059 1.00 1.21 H new ATOM 0 HG13 VAL A 26 1.422 11.334 -1.326 1.00 1.21 H new ATOM 0 HG21 VAL A 26 -1.021 10.376 -2.918 1.00 0.85 H new ATOM 0 HG22 VAL A 26 -0.817 10.126 -1.168 1.00 0.85 H new ATOM 0 HG23 VAL A 26 -2.274 10.940 -1.786 1.00 0.85 H new ATOM 468 N ALA A 27 -0.997 15.131 -0.936 1.00 0.46 N ATOM 469 CA ALA A 27 -0.598 16.532 -1.003 1.00 0.51 C ATOM 470 C ALA A 27 -0.279 17.071 0.385 1.00 0.54 C ATOM 471 O ALA A 27 0.734 17.744 0.585 1.00 0.59 O ATOM 472 CB ALA A 27 -1.693 17.365 -1.652 1.00 0.55 C ATOM 0 H ALA A 27 -1.933 14.943 -1.294 1.00 0.46 H new ATOM 0 HA ALA A 27 0.303 16.600 -1.613 1.00 0.51 H new ATOM 0 HB1 ALA A 27 -1.380 18.408 -1.694 1.00 0.55 H new ATOM 0 HB2 ALA A 27 -1.877 17.000 -2.662 1.00 0.55 H new ATOM 0 HB3 ALA A 27 -2.608 17.285 -1.065 1.00 0.55 H new ATOM 478 N GLY A 28 -1.148 16.767 1.339 1.00 0.54 N ATOM 479 CA GLY A 28 -0.931 17.194 2.705 1.00 0.59 C ATOM 480 C GLY A 28 0.265 16.508 3.335 1.00 0.58 C ATOM 481 O GLY A 28 1.130 17.166 3.913 1.00 0.65 O ATOM 0 H GLY A 28 -2.002 16.230 1.190 1.00 0.54 H new ATOM 0 HA2 GLY A 28 -0.782 18.274 2.727 1.00 0.59 H new ATOM 0 HA3 GLY A 28 -1.822 16.983 3.296 1.00 0.59 H new ATOM 485 N ILE A 29 0.322 15.188 3.204 1.00 0.52 N ATOM 486 CA ILE A 29 1.414 14.399 3.768 1.00 0.53 C ATOM 487 C ILE A 29 2.762 14.832 3.197 1.00 0.53 C ATOM 488 O ILE A 29 3.706 15.071 3.941 1.00 0.58 O ATOM 489 CB ILE A 29 1.210 12.889 3.505 1.00 0.51 C ATOM 490 CG1 ILE A 29 -0.089 12.405 4.154 1.00 0.53 C ATOM 491 CG2 ILE A 29 2.396 12.089 4.032 1.00 0.57 C ATOM 492 CD1 ILE A 29 -0.524 11.031 3.691 1.00 0.53 C ATOM 0 H ILE A 29 -0.379 14.637 2.709 1.00 0.52 H new ATOM 0 HA ILE A 29 1.410 14.576 4.844 1.00 0.53 H new ATOM 0 HB ILE A 29 1.140 12.734 2.428 1.00 0.51 H new ATOM 0 HG12 ILE A 29 0.039 12.391 5.236 1.00 0.53 H new ATOM 0 HG13 ILE A 29 -0.882 13.120 3.936 1.00 0.53 H new ATOM 0 HG21 ILE A 29 2.235 11.029 3.838 1.00 0.57 H new ATOM 0 HG22 ILE A 29 3.307 12.415 3.530 1.00 0.57 H new ATOM 0 HG23 ILE A 29 2.496 12.250 5.105 1.00 0.57 H new ATOM 0 HD11 ILE A 29 -1.451 10.755 4.193 1.00 0.53 H new ATOM 0 HD12 ILE A 29 -0.685 11.044 2.613 1.00 0.53 H new ATOM 0 HD13 ILE A 29 0.251 10.303 3.933 1.00 0.53 H new ATOM 504 N ARG A 30 2.833 14.961 1.878 1.00 0.53 N ATOM 505 CA ARG A 30 4.080 15.309 1.201 1.00 0.59 C ATOM 506 C ARG A 30 4.536 16.722 1.574 1.00 0.67 C ATOM 507 O ARG A 30 5.730 17.022 1.574 1.00 0.74 O ATOM 508 CB ARG A 30 3.898 15.186 -0.317 1.00 0.66 C ATOM 509 CG ARG A 30 5.149 15.484 -1.127 1.00 1.04 C ATOM 510 CD ARG A 30 4.912 15.256 -2.612 1.00 1.50 C ATOM 511 NE ARG A 30 6.058 15.662 -3.422 1.00 1.96 N ATOM 512 CZ ARG A 30 6.181 15.410 -4.725 1.00 2.66 C ATOM 513 NH1 ARG A 30 5.255 14.706 -5.363 1.00 3.06 N ATOM 514 NH2 ARG A 30 7.241 15.852 -5.387 1.00 3.31 N ATOM 0 H ARG A 30 2.039 14.830 1.252 1.00 0.53 H new ATOM 0 HA ARG A 30 4.855 14.614 1.526 1.00 0.59 H new ATOM 0 HB2 ARG A 30 3.562 14.175 -0.549 1.00 0.66 H new ATOM 0 HB3 ARG A 30 3.106 15.866 -0.632 1.00 0.66 H new ATOM 0 HG2 ARG A 30 5.456 16.516 -0.960 1.00 1.04 H new ATOM 0 HG3 ARG A 30 5.966 14.849 -0.785 1.00 1.04 H new ATOM 0 HD2 ARG A 30 4.701 14.201 -2.787 1.00 1.50 H new ATOM 0 HD3 ARG A 30 4.030 15.814 -2.927 1.00 1.50 H new ATOM 0 HE ARG A 30 6.812 16.171 -2.961 1.00 1.96 H new ATOM 0 HH11 ARG A 30 4.443 14.354 -4.856 1.00 3.06 H new ATOM 0 HH12 ARG A 30 5.355 14.517 -6.360 1.00 3.06 H new ATOM 0 HH21 ARG A 30 7.961 16.384 -4.899 1.00 3.31 H new ATOM 0 HH22 ARG A 30 7.336 15.660 -6.384 1.00 3.31 H new ATOM 528 N ALA A 31 3.580 17.589 1.888 1.00 0.69 N ATOM 529 CA ALA A 31 3.898 18.955 2.282 1.00 0.81 C ATOM 530 C ALA A 31 4.319 19.024 3.749 1.00 0.80 C ATOM 531 O ALA A 31 5.296 19.690 4.093 1.00 0.90 O ATOM 532 CB ALA A 31 2.713 19.872 2.029 1.00 0.91 C ATOM 0 H ALA A 31 2.584 17.371 1.877 1.00 0.69 H new ATOM 0 HA ALA A 31 4.738 19.291 1.674 1.00 0.81 H new ATOM 0 HB1 ALA A 31 2.969 20.888 2.329 1.00 0.91 H new ATOM 0 HB2 ALA A 31 2.463 19.859 0.968 1.00 0.91 H new ATOM 0 HB3 ALA A 31 1.856 19.527 2.608 1.00 0.91 H new ATOM 538 N LYS A 32 3.584 18.327 4.610 1.00 0.71 N ATOM 539 CA LYS A 32 3.856 18.341 6.044 1.00 0.74 C ATOM 540 C LYS A 32 5.079 17.495 6.380 1.00 0.67 C ATOM 541 O LYS A 32 5.864 17.841 7.266 1.00 0.67 O ATOM 542 CB LYS A 32 2.637 17.836 6.823 1.00 0.78 C ATOM 543 CG LYS A 32 1.442 18.782 6.781 1.00 1.55 C ATOM 544 CD LYS A 32 1.709 20.069 7.552 1.00 1.87 C ATOM 545 CE LYS A 32 1.827 19.816 9.047 1.00 2.30 C ATOM 546 NZ LYS A 32 2.172 21.053 9.798 1.00 3.00 N ATOM 0 H LYS A 32 2.793 17.743 4.339 1.00 0.71 H new ATOM 0 HA LYS A 32 4.063 19.371 6.336 1.00 0.74 H new ATOM 0 HB2 LYS A 32 2.336 16.869 6.421 1.00 0.78 H new ATOM 0 HB3 LYS A 32 2.924 17.674 7.862 1.00 0.78 H new ATOM 0 HG2 LYS A 32 1.205 19.022 5.744 1.00 1.55 H new ATOM 0 HG3 LYS A 32 0.568 18.282 7.200 1.00 1.55 H new ATOM 0 HD2 LYS A 32 2.628 20.528 7.187 1.00 1.87 H new ATOM 0 HD3 LYS A 32 0.903 20.779 7.366 1.00 1.87 H new ATOM 0 HE2 LYS A 32 0.885 19.415 9.422 1.00 2.30 H new ATOM 0 HE3 LYS A 32 2.590 19.058 9.227 1.00 2.30 H new ATOM 0 HZ1 LYS A 32 2.242 20.835 10.812 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 3.083 21.422 9.459 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 1.432 21.768 9.648 1.00 3.00 H new ATOM 560 N PHE A 33 5.238 16.393 5.670 1.00 0.62 N ATOM 561 CA PHE A 33 6.358 15.490 5.894 1.00 0.56 C ATOM 562 C PHE A 33 7.095 15.220 4.581 1.00 0.50 C ATOM 563 O PHE A 33 6.967 14.142 4.011 1.00 0.47 O ATOM 564 CB PHE A 33 5.867 14.160 6.482 1.00 0.56 C ATOM 565 CG PHE A 33 5.105 14.289 7.774 1.00 0.68 C ATOM 566 CD1 PHE A 33 5.766 14.260 8.991 1.00 1.21 C ATOM 567 CD2 PHE A 33 3.726 14.430 7.768 1.00 1.42 C ATOM 568 CE1 PHE A 33 5.066 14.369 10.177 1.00 1.30 C ATOM 569 CE2 PHE A 33 3.020 14.540 8.950 1.00 1.49 C ATOM 570 CZ PHE A 33 3.691 14.511 10.156 1.00 0.93 C ATOM 0 H PHE A 33 4.603 16.098 4.928 1.00 0.62 H new ATOM 0 HA PHE A 33 7.040 15.965 6.600 1.00 0.56 H new ATOM 0 HB2 PHE A 33 5.230 13.666 5.748 1.00 0.56 H new ATOM 0 HB3 PHE A 33 6.727 13.511 6.646 1.00 0.56 H new ATOM 0 HD1 PHE A 33 6.840 14.151 9.013 1.00 1.21 H new ATOM 0 HD2 PHE A 33 3.197 14.454 6.827 1.00 1.42 H new ATOM 0 HE1 PHE A 33 5.592 14.343 11.120 1.00 1.30 H new ATOM 0 HE2 PHE A 33 1.946 14.648 8.931 1.00 1.49 H new ATOM 0 HZ PHE A 33 3.142 14.599 11.082 1.00 0.93 H new ATOM 580 N PRO A 34 7.890 16.188 4.089 1.00 0.55 N ATOM 581 CA PRO A 34 8.613 16.045 2.815 1.00 0.55 C ATOM 582 C PRO A 34 9.622 14.898 2.828 1.00 0.48 C ATOM 583 O PRO A 34 10.010 14.378 1.782 1.00 0.52 O ATOM 584 CB PRO A 34 9.337 17.382 2.660 1.00 0.68 C ATOM 585 CG PRO A 34 9.398 17.955 4.033 1.00 0.74 C ATOM 586 CD PRO A 34 8.150 17.491 4.721 1.00 0.66 C ATOM 0 HA PRO A 34 7.932 15.811 1.997 1.00 0.55 H new ATOM 0 HB2 PRO A 34 10.336 17.243 2.247 1.00 0.68 H new ATOM 0 HB3 PRO A 34 8.800 18.044 1.981 1.00 0.68 H new ATOM 0 HG2 PRO A 34 10.287 17.612 4.562 1.00 0.74 H new ATOM 0 HG3 PRO A 34 9.446 19.043 4.001 1.00 0.74 H new ATOM 0 HD2 PRO A 34 8.294 17.396 5.797 1.00 0.66 H new ATOM 0 HD3 PRO A 34 7.323 18.185 4.570 1.00 0.66 H new ATOM 594 N ASN A 35 10.044 14.514 4.020 1.00 0.44 N ATOM 595 CA ASN A 35 11.003 13.431 4.176 1.00 0.44 C ATOM 596 C ASN A 35 10.300 12.074 4.224 1.00 0.38 C ATOM 597 O ASN A 35 10.935 11.036 4.053 1.00 0.43 O ATOM 598 CB ASN A 35 11.843 13.647 5.444 1.00 0.54 C ATOM 599 CG ASN A 35 12.805 12.506 5.728 1.00 1.32 C ATOM 600 OD1 ASN A 35 12.475 11.566 6.456 1.00 2.16 O ATOM 601 ND2 ASN A 35 13.998 12.578 5.160 1.00 1.83 N ATOM 0 H ASN A 35 9.738 14.936 4.897 1.00 0.44 H new ATOM 0 HA ASN A 35 11.664 13.434 3.310 1.00 0.44 H new ATOM 0 HB2 ASN A 35 12.408 14.573 5.344 1.00 0.54 H new ATOM 0 HB3 ASN A 35 11.176 13.772 6.297 1.00 0.54 H new ATOM 0 HD21 ASN A 35 14.683 11.839 5.318 1.00 1.83 H new ATOM 0 HD22 ASN A 35 14.232 13.372 4.564 1.00 1.83 H new ATOM 608 N LYS A 36 8.990 12.082 4.425 1.00 0.36 N ATOM 609 CA LYS A 36 8.243 10.837 4.567 1.00 0.40 C ATOM 610 C LYS A 36 7.323 10.613 3.374 1.00 0.36 C ATOM 611 O LYS A 36 6.545 11.488 2.997 1.00 0.56 O ATOM 612 CB LYS A 36 7.427 10.813 5.868 1.00 0.54 C ATOM 613 CG LYS A 36 8.263 10.669 7.139 1.00 0.89 C ATOM 614 CD LYS A 36 9.032 11.940 7.469 1.00 1.58 C ATOM 615 CE LYS A 36 9.872 11.783 8.729 1.00 1.56 C ATOM 616 NZ LYS A 36 10.916 10.733 8.583 1.00 2.03 N ATOM 0 H LYS A 36 8.425 12.928 4.493 1.00 0.36 H new ATOM 0 HA LYS A 36 8.973 10.028 4.606 1.00 0.40 H new ATOM 0 HB2 LYS A 36 6.845 11.732 5.934 1.00 0.54 H new ATOM 0 HB3 LYS A 36 6.716 9.988 5.821 1.00 0.54 H new ATOM 0 HG2 LYS A 36 7.610 10.414 7.974 1.00 0.89 H new ATOM 0 HG3 LYS A 36 8.964 9.843 7.019 1.00 0.89 H new ATOM 0 HD2 LYS A 36 9.679 12.201 6.631 1.00 1.58 H new ATOM 0 HD3 LYS A 36 8.331 12.765 7.600 1.00 1.58 H new ATOM 0 HE2 LYS A 36 10.347 12.735 8.967 1.00 1.56 H new ATOM 0 HE3 LYS A 36 9.222 11.532 9.568 1.00 1.56 H new ATOM 0 HZ1 LYS A 36 11.624 10.840 9.337 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 10.476 9.793 8.653 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 11.379 10.830 7.657 1.00 2.03 H new ATOM 630 N ILE A 37 7.422 9.434 2.791 1.00 0.26 N ATOM 631 CA ILE A 37 6.624 9.074 1.636 1.00 0.27 C ATOM 632 C ILE A 37 5.524 8.095 2.037 1.00 0.24 C ATOM 633 O ILE A 37 5.800 7.053 2.639 1.00 0.26 O ATOM 634 CB ILE A 37 7.508 8.453 0.533 1.00 0.37 C ATOM 635 CG1 ILE A 37 8.576 9.461 0.095 1.00 0.42 C ATOM 636 CG2 ILE A 37 6.661 8.011 -0.654 1.00 0.45 C ATOM 637 CD1 ILE A 37 9.582 8.904 -0.887 1.00 0.58 C ATOM 0 H ILE A 37 8.057 8.700 3.104 1.00 0.26 H new ATOM 0 HA ILE A 37 6.165 9.981 1.242 1.00 0.27 H new ATOM 0 HB ILE A 37 8.003 7.569 0.935 1.00 0.37 H new ATOM 0 HG12 ILE A 37 8.084 10.324 -0.355 1.00 0.42 H new ATOM 0 HG13 ILE A 37 9.106 9.820 0.977 1.00 0.42 H new ATOM 0 HG21 ILE A 37 7.305 7.577 -1.419 1.00 0.45 H new ATOM 0 HG22 ILE A 37 5.935 7.267 -0.326 1.00 0.45 H new ATOM 0 HG23 ILE A 37 6.137 8.872 -1.068 1.00 0.45 H new ATOM 0 HD11 ILE A 37 10.303 9.678 -1.148 1.00 0.58 H new ATOM 0 HD12 ILE A 37 10.103 8.060 -0.435 1.00 0.58 H new ATOM 0 HD13 ILE A 37 9.066 8.571 -1.788 1.00 0.58 H new ATOM 649 N PRO A 38 4.262 8.434 1.739 1.00 0.27 N ATOM 650 CA PRO A 38 3.120 7.581 2.060 1.00 0.30 C ATOM 651 C PRO A 38 2.952 6.418 1.079 1.00 0.25 C ATOM 652 O PRO A 38 2.635 6.608 -0.103 1.00 0.26 O ATOM 653 CB PRO A 38 1.937 8.542 1.973 1.00 0.44 C ATOM 654 CG PRO A 38 2.350 9.571 0.978 1.00 0.53 C ATOM 655 CD PRO A 38 3.848 9.689 1.080 1.00 0.36 C ATOM 0 HA PRO A 38 3.229 7.100 3.032 1.00 0.30 H new ATOM 0 HB2 PRO A 38 1.031 8.026 1.654 1.00 0.44 H new ATOM 0 HB3 PRO A 38 1.723 8.993 2.942 1.00 0.44 H new ATOM 0 HG2 PRO A 38 2.052 9.279 -0.029 1.00 0.53 H new ATOM 0 HG3 PRO A 38 1.871 10.527 1.187 1.00 0.53 H new ATOM 0 HD2 PRO A 38 4.308 9.794 0.097 1.00 0.36 H new ATOM 0 HD3 PRO A 38 4.141 10.562 1.664 1.00 0.36 H new ATOM 663 N VAL A 39 3.174 5.215 1.576 1.00 0.23 N ATOM 664 CA VAL A 39 3.023 4.016 0.773 1.00 0.22 C ATOM 665 C VAL A 39 1.813 3.218 1.249 1.00 0.22 C ATOM 666 O VAL A 39 1.439 3.282 2.424 1.00 0.25 O ATOM 667 CB VAL A 39 4.291 3.129 0.826 1.00 0.25 C ATOM 668 CG1 VAL A 39 5.512 3.903 0.352 1.00 1.39 C ATOM 669 CG2 VAL A 39 4.520 2.586 2.227 1.00 1.28 C ATOM 0 H VAL A 39 3.462 5.042 2.539 1.00 0.23 H new ATOM 0 HA VAL A 39 2.874 4.326 -0.261 1.00 0.22 H new ATOM 0 HB VAL A 39 4.134 2.285 0.155 1.00 0.25 H new ATOM 0 HG11 VAL A 39 6.391 3.260 0.398 1.00 1.39 H new ATOM 0 HG12 VAL A 39 5.357 4.233 -0.675 1.00 1.39 H new ATOM 0 HG13 VAL A 39 5.664 4.771 0.993 1.00 1.39 H new ATOM 0 HG21 VAL A 39 5.417 1.967 2.235 1.00 1.28 H new ATOM 0 HG22 VAL A 39 4.646 3.416 2.923 1.00 1.28 H new ATOM 0 HG23 VAL A 39 3.662 1.986 2.529 1.00 1.28 H new ATOM 679 N VAL A 40 1.187 2.495 0.337 1.00 0.26 N ATOM 680 CA VAL A 40 0.027 1.685 0.671 1.00 0.28 C ATOM 681 C VAL A 40 0.271 0.230 0.290 1.00 0.28 C ATOM 682 O VAL A 40 0.487 -0.091 -0.879 1.00 0.34 O ATOM 683 CB VAL A 40 -1.254 2.192 -0.030 1.00 0.33 C ATOM 684 CG1 VAL A 40 -2.448 1.318 0.325 1.00 0.38 C ATOM 685 CG2 VAL A 40 -1.534 3.642 0.338 1.00 0.40 C ATOM 0 H VAL A 40 1.463 2.452 -0.644 1.00 0.26 H new ATOM 0 HA VAL A 40 -0.122 1.765 1.748 1.00 0.28 H new ATOM 0 HB VAL A 40 -1.092 2.134 -1.106 1.00 0.33 H new ATOM 0 HG11 VAL A 40 -3.338 1.695 -0.180 1.00 0.38 H new ATOM 0 HG12 VAL A 40 -2.256 0.293 0.007 1.00 0.38 H new ATOM 0 HG13 VAL A 40 -2.607 1.339 1.403 1.00 0.38 H new ATOM 0 HG21 VAL A 40 -2.440 3.977 -0.167 1.00 0.40 H new ATOM 0 HG22 VAL A 40 -1.668 3.724 1.417 1.00 0.40 H new ATOM 0 HG23 VAL A 40 -0.695 4.265 0.028 1.00 0.40 H new ATOM 695 N VAL A 41 0.249 -0.640 1.285 1.00 0.30 N ATOM 696 CA VAL A 41 0.459 -2.059 1.066 1.00 0.32 C ATOM 697 C VAL A 41 -0.876 -2.781 0.986 1.00 0.44 C ATOM 698 O VAL A 41 -1.646 -2.806 1.951 1.00 0.64 O ATOM 699 CB VAL A 41 1.319 -2.687 2.179 1.00 0.47 C ATOM 700 CG1 VAL A 41 1.555 -4.168 1.915 1.00 0.50 C ATOM 701 CG2 VAL A 41 2.638 -1.949 2.299 1.00 1.03 C ATOM 0 H VAL A 41 0.086 -0.385 2.259 1.00 0.30 H new ATOM 0 HA VAL A 41 0.993 -2.168 0.122 1.00 0.32 H new ATOM 0 HB VAL A 41 0.780 -2.597 3.122 1.00 0.47 H new ATOM 0 HG11 VAL A 41 2.165 -4.588 2.715 1.00 0.50 H new ATOM 0 HG12 VAL A 41 0.598 -4.688 1.877 1.00 0.50 H new ATOM 0 HG13 VAL A 41 2.072 -4.290 0.963 1.00 0.50 H new ATOM 0 HG21 VAL A 41 3.238 -2.402 3.089 1.00 1.03 H new ATOM 0 HG22 VAL A 41 3.177 -2.011 1.354 1.00 1.03 H new ATOM 0 HG23 VAL A 41 2.449 -0.903 2.541 1.00 1.03 H new ATOM 711 N GLU A 42 -1.138 -3.362 -0.167 1.00 0.44 N ATOM 712 CA GLU A 42 -2.393 -4.038 -0.422 1.00 0.64 C ATOM 713 C GLU A 42 -2.140 -5.518 -0.668 1.00 0.47 C ATOM 714 O GLU A 42 -1.131 -5.894 -1.274 1.00 0.36 O ATOM 715 CB GLU A 42 -3.072 -3.408 -1.639 1.00 0.94 C ATOM 716 CG GLU A 42 -4.475 -3.922 -1.894 1.00 1.44 C ATOM 717 CD GLU A 42 -5.082 -3.334 -3.148 1.00 1.67 C ATOM 718 OE1 GLU A 42 -5.366 -2.120 -3.159 1.00 1.86 O ATOM 719 OE2 GLU A 42 -5.286 -4.086 -4.125 1.00 2.43 O ATOM 0 H GLU A 42 -0.488 -3.379 -0.953 1.00 0.44 H new ATOM 0 HA GLU A 42 -3.046 -3.934 0.444 1.00 0.64 H new ATOM 0 HB2 GLU A 42 -3.111 -2.327 -1.502 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -2.461 -3.596 -2.522 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -4.452 -5.008 -1.979 1.00 1.44 H new ATOM 0 HG3 GLU A 42 -5.108 -3.683 -1.040 1.00 1.44 H new ATOM 726 N ARG A 43 -3.041 -6.361 -0.185 1.00 0.54 N ATOM 727 CA ARG A 43 -2.916 -7.787 -0.406 1.00 0.47 C ATOM 728 C ARG A 43 -3.269 -8.103 -1.849 1.00 0.50 C ATOM 729 O ARG A 43 -4.372 -7.794 -2.307 1.00 0.60 O ATOM 730 CB ARG A 43 -3.817 -8.579 0.546 1.00 0.64 C ATOM 731 CG ARG A 43 -3.458 -10.054 0.611 1.00 1.11 C ATOM 732 CD ARG A 43 -4.387 -10.825 1.531 1.00 1.08 C ATOM 733 NE ARG A 43 -5.706 -11.043 0.940 1.00 1.40 N ATOM 734 CZ ARG A 43 -6.501 -12.062 1.265 1.00 1.48 C ATOM 735 NH1 ARG A 43 -6.128 -12.926 2.201 1.00 1.49 N ATOM 736 NH2 ARG A 43 -7.670 -12.218 0.656 1.00 2.32 N ATOM 0 H ARG A 43 -3.858 -6.082 0.357 1.00 0.54 H new ATOM 0 HA ARG A 43 -1.886 -8.082 -0.206 1.00 0.47 H new ATOM 0 HB2 ARG A 43 -3.748 -8.149 1.545 1.00 0.64 H new ATOM 0 HB3 ARG A 43 -4.854 -8.477 0.226 1.00 0.64 H new ATOM 0 HG2 ARG A 43 -3.502 -10.482 -0.390 1.00 1.11 H new ATOM 0 HG3 ARG A 43 -2.431 -10.162 0.959 1.00 1.11 H new ATOM 0 HD2 ARG A 43 -3.937 -11.788 1.772 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -4.498 -10.281 2.469 1.00 1.08 H new ATOM 0 HE ARG A 43 -6.036 -10.378 0.240 1.00 1.40 H new ATOM 0 HH11 ARG A 43 -5.231 -12.811 2.673 1.00 1.49 H new ATOM 0 HH12 ARG A 43 -6.738 -13.705 2.448 1.00 1.49 H new ATOM 0 HH21 ARG A 43 -7.963 -11.557 -0.063 1.00 2.32 H new ATOM 0 HH22 ARG A 43 -8.276 -12.999 0.907 1.00 2.32 H new ATOM 750 N TYR A 44 -2.318 -8.701 -2.556 1.00 0.51 N ATOM 751 CA TYR A 44 -2.467 -9.010 -3.972 1.00 0.65 C ATOM 752 C TYR A 44 -3.774 -9.768 -4.218 1.00 0.80 C ATOM 753 O TYR A 44 -4.102 -10.692 -3.480 1.00 0.91 O ATOM 754 CB TYR A 44 -1.260 -9.837 -4.425 1.00 0.80 C ATOM 755 CG TYR A 44 -1.060 -9.889 -5.922 1.00 0.93 C ATOM 756 CD1 TYR A 44 -0.834 -8.727 -6.645 1.00 1.45 C ATOM 757 CD2 TYR A 44 -1.082 -11.094 -6.609 1.00 1.61 C ATOM 758 CE1 TYR A 44 -0.640 -8.758 -8.008 1.00 1.53 C ATOM 759 CE2 TYR A 44 -0.883 -11.137 -7.977 1.00 1.74 C ATOM 760 CZ TYR A 44 -0.662 -9.965 -8.673 1.00 1.23 C ATOM 761 OH TYR A 44 -0.461 -10.004 -10.033 1.00 1.40 O ATOM 0 H TYR A 44 -1.421 -8.986 -2.163 1.00 0.51 H new ATOM 0 HA TYR A 44 -2.508 -8.087 -4.550 1.00 0.65 H new ATOM 0 HB2 TYR A 44 -0.361 -9.426 -3.966 1.00 0.80 H new ATOM 0 HB3 TYR A 44 -1.372 -10.855 -4.051 1.00 0.80 H new ATOM 0 HD1 TYR A 44 -0.810 -7.779 -6.129 1.00 1.45 H new ATOM 0 HD2 TYR A 44 -1.257 -12.012 -6.068 1.00 1.61 H new ATOM 0 HE1 TYR A 44 -0.471 -7.841 -8.553 1.00 1.53 H new ATOM 0 HE2 TYR A 44 -0.900 -12.083 -8.498 1.00 1.74 H new ATOM 0 HH TYR A 44 -0.507 -10.932 -10.344 1.00 1.40 H new ATOM 771 N PRO A 45 -4.543 -9.364 -5.248 1.00 0.96 N ATOM 772 CA PRO A 45 -5.890 -9.907 -5.521 1.00 1.22 C ATOM 773 C PRO A 45 -5.921 -11.421 -5.737 1.00 1.26 C ATOM 774 O PRO A 45 -6.983 -12.037 -5.700 1.00 1.48 O ATOM 775 CB PRO A 45 -6.322 -9.184 -6.805 1.00 1.41 C ATOM 776 CG PRO A 45 -5.067 -8.630 -7.387 1.00 1.32 C ATOM 777 CD PRO A 45 -4.177 -8.323 -6.222 1.00 1.05 C ATOM 0 HA PRO A 45 -6.547 -9.744 -4.667 1.00 1.22 H new ATOM 0 HB2 PRO A 45 -6.807 -9.871 -7.499 1.00 1.41 H new ATOM 0 HB3 PRO A 45 -7.038 -8.391 -6.588 1.00 1.41 H new ATOM 0 HG2 PRO A 45 -4.597 -9.348 -8.059 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -5.270 -7.732 -7.971 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -3.123 -8.376 -6.494 1.00 1.05 H new ATOM 0 HD3 PRO A 45 -4.355 -7.322 -5.830 1.00 1.05 H new ATOM 785 N ARG A 46 -4.762 -12.021 -5.969 1.00 1.19 N ATOM 786 CA ARG A 46 -4.683 -13.464 -6.168 1.00 1.41 C ATOM 787 C ARG A 46 -4.228 -14.156 -4.886 1.00 1.33 C ATOM 788 O ARG A 46 -4.236 -15.385 -4.788 1.00 1.52 O ATOM 789 CB ARG A 46 -3.728 -13.798 -7.317 1.00 1.62 C ATOM 790 CG ARG A 46 -4.152 -13.214 -8.658 1.00 2.05 C ATOM 791 CD ARG A 46 -5.511 -13.735 -9.107 1.00 2.15 C ATOM 792 NE ARG A 46 -5.511 -15.185 -9.319 1.00 2.69 N ATOM 793 CZ ARG A 46 -6.134 -15.791 -10.331 1.00 3.29 C ATOM 794 NH1 ARG A 46 -6.810 -15.080 -11.225 1.00 3.38 N ATOM 795 NH2 ARG A 46 -6.085 -17.113 -10.449 1.00 4.16 N ATOM 0 H ARG A 46 -3.867 -11.535 -6.024 1.00 1.19 H new ATOM 0 HA ARG A 46 -5.677 -13.828 -6.427 1.00 1.41 H new ATOM 0 HB2 ARG A 46 -2.733 -13.429 -7.069 1.00 1.62 H new ATOM 0 HB3 ARG A 46 -3.652 -14.881 -7.411 1.00 1.62 H new ATOM 0 HG2 ARG A 46 -4.187 -12.127 -8.584 1.00 2.05 H new ATOM 0 HG3 ARG A 46 -3.404 -13.458 -9.412 1.00 2.05 H new ATOM 0 HD2 ARG A 46 -6.260 -13.480 -8.358 1.00 2.15 H new ATOM 0 HD3 ARG A 46 -5.801 -13.235 -10.031 1.00 2.15 H new ATOM 0 HE ARG A 46 -5.004 -15.766 -8.652 1.00 2.69 H new ATOM 0 HH11 ARG A 46 -6.855 -14.065 -11.140 1.00 3.38 H new ATOM 0 HH12 ARG A 46 -7.284 -15.549 -11.997 1.00 3.38 H new ATOM 0 HH21 ARG A 46 -5.570 -17.667 -9.765 1.00 4.16 H new ATOM 0 HH22 ARG A 46 -6.562 -17.574 -11.224 1.00 4.16 H new ATOM 809 N GLU A 47 -3.841 -13.353 -3.907 1.00 1.17 N ATOM 810 CA GLU A 47 -3.364 -13.855 -2.629 1.00 1.13 C ATOM 811 C GLU A 47 -4.531 -14.045 -1.669 1.00 1.30 C ATOM 812 O GLU A 47 -5.297 -13.114 -1.426 1.00 1.48 O ATOM 813 CB GLU A 47 -2.334 -12.880 -2.042 1.00 1.09 C ATOM 814 CG GLU A 47 -1.782 -13.296 -0.689 1.00 1.43 C ATOM 815 CD GLU A 47 -1.201 -14.689 -0.713 1.00 1.91 C ATOM 816 OE1 GLU A 47 -0.084 -14.865 -1.234 1.00 2.22 O ATOM 817 OE2 GLU A 47 -1.867 -15.616 -0.223 1.00 2.56 O ATOM 0 H GLU A 47 -3.849 -12.335 -3.977 1.00 1.17 H new ATOM 0 HA GLU A 47 -2.885 -14.823 -2.780 1.00 1.13 H new ATOM 0 HB2 GLU A 47 -1.506 -12.778 -2.744 1.00 1.09 H new ATOM 0 HB3 GLU A 47 -2.794 -11.897 -1.947 1.00 1.09 H new ATOM 0 HG2 GLU A 47 -1.013 -12.589 -0.380 1.00 1.43 H new ATOM 0 HG3 GLU A 47 -2.577 -13.249 0.056 1.00 1.43 H new ATOM 824 N THR A 48 -4.672 -15.254 -1.141 1.00 1.56 N ATOM 825 CA THR A 48 -5.757 -15.569 -0.221 1.00 1.94 C ATOM 826 C THR A 48 -5.249 -16.322 1.010 1.00 1.56 C ATOM 827 O THR A 48 -6.014 -16.617 1.931 1.00 1.92 O ATOM 828 CB THR A 48 -6.838 -16.413 -0.918 1.00 2.64 C ATOM 829 OG1 THR A 48 -6.218 -17.456 -1.686 1.00 2.79 O ATOM 830 CG2 THR A 48 -7.706 -15.550 -1.823 1.00 3.54 C ATOM 0 H THR A 48 -4.046 -16.035 -1.335 1.00 1.56 H new ATOM 0 HA THR A 48 -6.187 -14.621 0.101 1.00 1.94 H new ATOM 0 HB THR A 48 -7.477 -16.854 -0.152 1.00 2.64 H new ATOM 0 HG1 THR A 48 -6.909 -17.993 -2.127 1.00 2.79 H new ATOM 0 HG21 THR A 48 -8.462 -16.172 -2.303 1.00 3.54 H new ATOM 0 HG22 THR A 48 -8.195 -14.778 -1.229 1.00 3.54 H new ATOM 0 HG23 THR A 48 -7.084 -15.082 -2.585 1.00 3.54 H new ATOM 838 N PHE A 49 -3.958 -16.617 1.027 1.00 1.27 N ATOM 839 CA PHE A 49 -3.362 -17.387 2.106 1.00 1.57 C ATOM 840 C PHE A 49 -2.912 -16.459 3.228 1.00 1.23 C ATOM 841 O PHE A 49 -3.149 -16.729 4.407 1.00 1.42 O ATOM 842 CB PHE A 49 -2.174 -18.199 1.572 1.00 2.24 C ATOM 843 CG PHE A 49 -1.504 -19.071 2.598 1.00 3.04 C ATOM 844 CD1 PHE A 49 -2.018 -20.320 2.901 1.00 3.80 C ATOM 845 CD2 PHE A 49 -0.360 -18.645 3.252 1.00 3.65 C ATOM 846 CE1 PHE A 49 -1.403 -21.129 3.838 1.00 4.81 C ATOM 847 CE2 PHE A 49 0.260 -19.448 4.189 1.00 4.73 C ATOM 848 CZ PHE A 49 -0.263 -20.692 4.484 1.00 5.19 C ATOM 0 H PHE A 49 -3.301 -16.333 0.301 1.00 1.27 H new ATOM 0 HA PHE A 49 -4.106 -18.076 2.506 1.00 1.57 H new ATOM 0 HB2 PHE A 49 -2.519 -18.826 0.750 1.00 2.24 H new ATOM 0 HB3 PHE A 49 -1.436 -17.511 1.160 1.00 2.24 H new ATOM 0 HD1 PHE A 49 -2.910 -20.666 2.400 1.00 3.80 H new ATOM 0 HD2 PHE A 49 0.052 -17.673 3.026 1.00 3.65 H new ATOM 0 HE1 PHE A 49 -1.813 -22.102 4.065 1.00 4.81 H new ATOM 0 HE2 PHE A 49 1.152 -19.104 4.690 1.00 4.73 H new ATOM 0 HZ PHE A 49 0.218 -21.321 5.218 1.00 5.19 H new ATOM 858 N LEU A 50 -2.273 -15.361 2.847 1.00 0.94 N ATOM 859 CA LEU A 50 -1.767 -14.395 3.814 1.00 0.81 C ATOM 860 C LEU A 50 -2.893 -13.552 4.399 1.00 0.81 C ATOM 861 O LEU A 50 -3.663 -12.931 3.660 1.00 0.88 O ATOM 862 CB LEU A 50 -0.732 -13.471 3.164 1.00 0.83 C ATOM 863 CG LEU A 50 0.544 -14.151 2.669 1.00 1.05 C ATOM 864 CD1 LEU A 50 1.489 -13.120 2.072 1.00 1.34 C ATOM 865 CD2 LEU A 50 1.227 -14.905 3.800 1.00 1.51 C ATOM 0 H LEU A 50 -2.092 -15.116 1.873 1.00 0.94 H new ATOM 0 HA LEU A 50 -1.297 -14.960 4.619 1.00 0.81 H new ATOM 0 HB2 LEU A 50 -1.202 -12.965 2.321 1.00 0.83 H new ATOM 0 HB3 LEU A 50 -0.456 -12.701 3.885 1.00 0.83 H new ATOM 0 HG LEU A 50 0.274 -14.870 1.896 1.00 1.05 H new ATOM 0 HD11 LEU A 50 2.395 -13.616 1.723 1.00 1.34 H new ATOM 0 HD12 LEU A 50 1.002 -12.622 1.234 1.00 1.34 H new ATOM 0 HD13 LEU A 50 1.749 -12.382 2.831 1.00 1.34 H new ATOM 0 HD21 LEU A 50 2.133 -15.381 3.425 1.00 1.51 H new ATOM 0 HD22 LEU A 50 1.487 -14.208 4.597 1.00 1.51 H new ATOM 0 HD23 LEU A 50 0.551 -15.667 4.190 1.00 1.51 H new ATOM 877 N PRO A 51 -3.023 -13.541 5.734 1.00 0.98 N ATOM 878 CA PRO A 51 -3.933 -12.633 6.434 1.00 1.19 C ATOM 879 C PRO A 51 -3.441 -11.191 6.348 1.00 1.06 C ATOM 880 O PRO A 51 -2.255 -10.924 6.559 1.00 1.05 O ATOM 881 CB PRO A 51 -3.896 -13.121 7.892 1.00 1.58 C ATOM 882 CG PRO A 51 -3.247 -14.461 7.844 1.00 1.69 C ATOM 883 CD PRO A 51 -2.317 -14.424 6.668 1.00 1.21 C ATOM 0 HA PRO A 51 -4.935 -12.641 6.006 1.00 1.19 H new ATOM 0 HB2 PRO A 51 -3.332 -12.434 8.522 1.00 1.58 H new ATOM 0 HB3 PRO A 51 -4.900 -13.186 8.310 1.00 1.58 H new ATOM 0 HG2 PRO A 51 -2.703 -14.665 8.766 1.00 1.69 H new ATOM 0 HG3 PRO A 51 -3.989 -15.251 7.730 1.00 1.69 H new ATOM 0 HD2 PRO A 51 -1.337 -14.030 6.938 1.00 1.21 H new ATOM 0 HD3 PRO A 51 -2.156 -15.416 6.246 1.00 1.21 H new ATOM 891 N PRO A 52 -4.341 -10.247 6.017 1.00 1.03 N ATOM 892 CA PRO A 52 -3.998 -8.826 5.879 1.00 0.93 C ATOM 893 C PRO A 52 -3.278 -8.265 7.103 1.00 0.87 C ATOM 894 O PRO A 52 -3.646 -8.556 8.245 1.00 1.08 O ATOM 895 CB PRO A 52 -5.358 -8.148 5.710 1.00 1.03 C ATOM 896 CG PRO A 52 -6.241 -9.202 5.148 1.00 1.15 C ATOM 897 CD PRO A 52 -5.770 -10.497 5.747 1.00 1.17 C ATOM 0 HA PRO A 52 -3.310 -8.660 5.050 1.00 0.93 H new ATOM 0 HB2 PRO A 52 -5.738 -7.781 6.663 1.00 1.03 H new ATOM 0 HB3 PRO A 52 -5.292 -7.290 5.041 1.00 1.03 H new ATOM 0 HG2 PRO A 52 -7.284 -9.012 5.399 1.00 1.15 H new ATOM 0 HG3 PRO A 52 -6.175 -9.228 4.060 1.00 1.15 H new ATOM 0 HD2 PRO A 52 -6.315 -10.740 6.659 1.00 1.17 H new ATOM 0 HD3 PRO A 52 -5.909 -11.332 5.060 1.00 1.17 H new ATOM 905 N LEU A 53 -2.242 -7.472 6.840 1.00 0.75 N ATOM 906 CA LEU A 53 -1.476 -6.802 7.887 1.00 0.74 C ATOM 907 C LEU A 53 -2.379 -5.864 8.679 1.00 0.76 C ATOM 908 O LEU A 53 -3.440 -5.458 8.197 1.00 0.80 O ATOM 909 CB LEU A 53 -0.338 -5.996 7.260 1.00 0.76 C ATOM 910 CG LEU A 53 0.534 -6.759 6.262 1.00 0.79 C ATOM 911 CD1 LEU A 53 1.544 -5.824 5.620 1.00 0.77 C ATOM 912 CD2 LEU A 53 1.242 -7.919 6.946 1.00 1.22 C ATOM 0 H LEU A 53 -1.910 -7.276 5.896 1.00 0.75 H new ATOM 0 HA LEU A 53 -1.065 -7.557 8.557 1.00 0.74 H new ATOM 0 HB2 LEU A 53 -0.765 -5.129 6.755 1.00 0.76 H new ATOM 0 HB3 LEU A 53 0.300 -5.618 8.059 1.00 0.76 H new ATOM 0 HG LEU A 53 -0.110 -7.164 5.481 1.00 0.79 H new ATOM 0 HD11 LEU A 53 2.157 -6.382 4.912 1.00 0.77 H new ATOM 0 HD12 LEU A 53 1.019 -5.026 5.095 1.00 0.77 H new ATOM 0 HD13 LEU A 53 2.182 -5.392 6.391 1.00 0.77 H new ATOM 0 HD21 LEU A 53 1.857 -8.449 6.219 1.00 1.22 H new ATOM 0 HD22 LEU A 53 1.875 -7.537 7.747 1.00 1.22 H new ATOM 0 HD23 LEU A 53 0.502 -8.603 7.362 1.00 1.22 H new ATOM 924 N ASP A 54 -1.949 -5.497 9.883 1.00 0.77 N ATOM 925 CA ASP A 54 -2.774 -4.663 10.757 1.00 0.82 C ATOM 926 C ASP A 54 -2.729 -3.198 10.323 1.00 0.69 C ATOM 927 O ASP A 54 -3.402 -2.349 10.908 1.00 0.75 O ATOM 928 CB ASP A 54 -2.344 -4.790 12.225 1.00 1.00 C ATOM 929 CG ASP A 54 -1.008 -4.139 12.515 1.00 1.25 C ATOM 930 OD1 ASP A 54 0.030 -4.809 12.353 1.00 1.53 O ATOM 931 OD2 ASP A 54 -0.993 -2.955 12.926 1.00 2.12 O ATOM 0 H ASP A 54 -1.044 -5.760 10.274 1.00 0.77 H new ATOM 0 HA ASP A 54 -3.800 -5.022 10.669 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -3.106 -4.338 12.860 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -2.292 -5.846 12.491 1.00 1.00 H new ATOM 936 N LYS A 55 -1.929 -2.918 9.297 1.00 0.64 N ATOM 937 CA LYS A 55 -1.847 -1.585 8.706 1.00 0.62 C ATOM 938 C LYS A 55 -1.717 -1.705 7.191 1.00 0.55 C ATOM 939 O LYS A 55 -1.195 -2.700 6.684 1.00 0.61 O ATOM 940 CB LYS A 55 -0.647 -0.805 9.260 1.00 0.81 C ATOM 941 CG LYS A 55 -0.739 -0.483 10.744 1.00 1.10 C ATOM 942 CD LYS A 55 -1.873 0.488 11.042 1.00 1.49 C ATOM 943 CE LYS A 55 -2.044 0.694 12.537 1.00 1.98 C ATOM 944 NZ LYS A 55 -2.429 -0.565 13.229 1.00 2.59 N ATOM 0 H LYS A 55 -1.321 -3.606 8.853 1.00 0.64 H new ATOM 0 HA LYS A 55 -2.757 -1.043 8.961 1.00 0.62 H new ATOM 0 HB2 LYS A 55 0.260 -1.382 9.081 1.00 0.81 H new ATOM 0 HB3 LYS A 55 -0.547 0.127 8.704 1.00 0.81 H new ATOM 0 HG2 LYS A 55 -0.891 -1.404 11.307 1.00 1.10 H new ATOM 0 HG3 LYS A 55 0.205 -0.055 11.082 1.00 1.10 H new ATOM 0 HD2 LYS A 55 -1.671 1.445 10.562 1.00 1.49 H new ATOM 0 HD3 LYS A 55 -2.802 0.108 10.616 1.00 1.49 H new ATOM 0 HE2 LYS A 55 -1.113 1.071 12.960 1.00 1.98 H new ATOM 0 HE3 LYS A 55 -2.806 1.453 12.714 1.00 1.98 H new ATOM 0 HZ1 LYS A 55 -2.733 -0.349 14.200 1.00 2.59 H new ATOM 0 HZ2 LYS A 55 -3.211 -1.019 12.715 1.00 2.59 H new ATOM 0 HZ3 LYS A 55 -1.613 -1.209 13.257 1.00 2.59 H new ATOM 958 N THR A 56 -2.200 -0.703 6.475 1.00 0.50 N ATOM 959 CA THR A 56 -2.097 -0.692 5.024 1.00 0.48 C ATOM 960 C THR A 56 -1.416 0.587 4.540 1.00 0.43 C ATOM 961 O THR A 56 -0.754 0.593 3.505 1.00 0.45 O ATOM 962 CB THR A 56 -3.483 -0.849 4.351 1.00 0.55 C ATOM 963 OG1 THR A 56 -3.351 -0.857 2.922 1.00 1.14 O ATOM 964 CG2 THR A 56 -4.429 0.268 4.763 1.00 0.96 C ATOM 0 H THR A 56 -2.666 0.112 6.873 1.00 0.50 H new ATOM 0 HA THR A 56 -1.486 -1.547 4.735 1.00 0.48 H new ATOM 0 HB THR A 56 -3.901 -1.799 4.683 1.00 0.55 H new ATOM 0 HG1 THR A 56 -2.746 -1.580 2.653 1.00 1.14 H new ATOM 0 HG21 THR A 56 -5.393 0.128 4.273 1.00 0.96 H new ATOM 0 HG22 THR A 56 -4.565 0.249 5.844 1.00 0.96 H new ATOM 0 HG23 THR A 56 -4.008 1.229 4.467 1.00 0.96 H new ATOM 972 N LYS A 57 -1.562 1.665 5.301 1.00 0.46 N ATOM 973 CA LYS A 57 -0.932 2.927 4.952 1.00 0.48 C ATOM 974 C LYS A 57 0.290 3.140 5.830 1.00 0.52 C ATOM 975 O LYS A 57 0.186 3.143 7.057 1.00 0.69 O ATOM 976 CB LYS A 57 -1.907 4.097 5.133 1.00 0.59 C ATOM 977 CG LYS A 57 -3.316 3.812 4.635 1.00 0.90 C ATOM 978 CD LYS A 57 -4.185 5.059 4.680 1.00 1.09 C ATOM 979 CE LYS A 57 -4.071 5.871 3.400 1.00 1.54 C ATOM 980 NZ LYS A 57 -4.841 5.253 2.286 1.00 2.14 N ATOM 0 H LYS A 57 -2.110 1.688 6.161 1.00 0.46 H new ATOM 0 HA LYS A 57 -0.635 2.888 3.904 1.00 0.48 H new ATOM 0 HB2 LYS A 57 -1.952 4.358 6.190 1.00 0.59 H new ATOM 0 HB3 LYS A 57 -1.516 4.967 4.606 1.00 0.59 H new ATOM 0 HG2 LYS A 57 -3.273 3.434 3.614 1.00 0.90 H new ATOM 0 HG3 LYS A 57 -3.768 3.030 5.245 1.00 0.90 H new ATOM 0 HD2 LYS A 57 -5.225 4.772 4.838 1.00 1.09 H new ATOM 0 HD3 LYS A 57 -3.892 5.676 5.530 1.00 1.09 H new ATOM 0 HE2 LYS A 57 -4.436 6.883 3.577 1.00 1.54 H new ATOM 0 HE3 LYS A 57 -3.022 5.955 3.115 1.00 1.54 H new ATOM 0 HZ1 LYS A 57 -4.853 5.899 1.471 1.00 2.14 H new ATOM 0 HZ2 LYS A 57 -4.393 4.356 2.010 1.00 2.14 H new ATOM 0 HZ3 LYS A 57 -5.816 5.071 2.597 1.00 2.14 H new ATOM 994 N PHE A 58 1.445 3.300 5.209 1.00 0.43 N ATOM 995 CA PHE A 58 2.684 3.476 5.949 1.00 0.50 C ATOM 996 C PHE A 58 3.386 4.751 5.519 1.00 0.38 C ATOM 997 O PHE A 58 3.440 5.069 4.331 1.00 0.33 O ATOM 998 CB PHE A 58 3.624 2.289 5.724 1.00 0.69 C ATOM 999 CG PHE A 58 3.062 0.962 6.146 1.00 0.48 C ATOM 1000 CD1 PHE A 58 2.317 0.200 5.260 1.00 1.42 C ATOM 1001 CD2 PHE A 58 3.288 0.475 7.420 1.00 1.16 C ATOM 1002 CE1 PHE A 58 1.807 -1.025 5.641 1.00 1.64 C ATOM 1003 CE2 PHE A 58 2.779 -0.749 7.807 1.00 1.29 C ATOM 1004 CZ PHE A 58 2.037 -1.500 6.915 1.00 1.11 C ATOM 0 H PHE A 58 1.552 3.312 4.195 1.00 0.43 H new ATOM 0 HA PHE A 58 2.431 3.540 7.007 1.00 0.50 H new ATOM 0 HB2 PHE A 58 3.881 2.241 4.666 1.00 0.69 H new ATOM 0 HB3 PHE A 58 4.551 2.467 6.269 1.00 0.69 H new ATOM 0 HD1 PHE A 58 2.134 0.568 4.261 1.00 1.42 H new ATOM 0 HD2 PHE A 58 3.869 1.058 8.120 1.00 1.16 H new ATOM 0 HE1 PHE A 58 1.228 -1.611 4.942 1.00 1.64 H new ATOM 0 HE2 PHE A 58 2.960 -1.119 8.805 1.00 1.29 H new ATOM 0 HZ PHE A 58 1.638 -2.458 7.215 1.00 1.11 H new ATOM 1014 N LEU A 59 3.915 5.482 6.482 1.00 0.46 N ATOM 1015 CA LEU A 59 4.748 6.627 6.177 1.00 0.43 C ATOM 1016 C LEU A 59 6.192 6.298 6.526 1.00 0.40 C ATOM 1017 O LEU A 59 6.516 5.950 7.664 1.00 0.54 O ATOM 1018 CB LEU A 59 4.241 7.888 6.900 1.00 0.59 C ATOM 1019 CG LEU A 59 4.231 7.843 8.429 1.00 1.38 C ATOM 1020 CD1 LEU A 59 5.513 8.436 8.985 1.00 2.22 C ATOM 1021 CD2 LEU A 59 3.018 8.583 8.970 1.00 1.64 C ATOM 0 H LEU A 59 3.783 5.304 7.478 1.00 0.46 H new ATOM 0 HA LEU A 59 4.696 6.847 5.111 1.00 0.43 H new ATOM 0 HB2 LEU A 59 4.858 8.731 6.588 1.00 0.59 H new ATOM 0 HB3 LEU A 59 3.226 8.092 6.558 1.00 0.59 H new ATOM 0 HG LEU A 59 4.170 6.802 8.747 1.00 1.38 H new ATOM 0 HD11 LEU A 59 5.490 8.396 10.074 1.00 2.22 H new ATOM 0 HD12 LEU A 59 6.367 7.865 8.619 1.00 2.22 H new ATOM 0 HD13 LEU A 59 5.604 9.473 8.662 1.00 2.22 H new ATOM 0 HD21 LEU A 59 3.023 8.543 10.059 1.00 1.64 H new ATOM 0 HD22 LEU A 59 3.051 9.623 8.645 1.00 1.64 H new ATOM 0 HD23 LEU A 59 2.108 8.114 8.594 1.00 1.64 H new ATOM 1033 N VAL A 60 7.047 6.341 5.521 1.00 0.33 N ATOM 1034 CA VAL A 60 8.447 5.995 5.691 1.00 0.41 C ATOM 1035 C VAL A 60 9.330 7.061 5.067 1.00 0.36 C ATOM 1036 O VAL A 60 8.960 7.672 4.068 1.00 0.34 O ATOM 1037 CB VAL A 60 8.772 4.622 5.059 1.00 0.50 C ATOM 1038 CG1 VAL A 60 8.157 3.493 5.873 1.00 0.59 C ATOM 1039 CG2 VAL A 60 8.288 4.563 3.616 1.00 0.47 C ATOM 0 H VAL A 60 6.794 6.614 4.571 1.00 0.33 H new ATOM 0 HA VAL A 60 8.644 5.935 6.761 1.00 0.41 H new ATOM 0 HB VAL A 60 9.855 4.497 5.063 1.00 0.50 H new ATOM 0 HG11 VAL A 60 8.399 2.537 5.409 1.00 0.59 H new ATOM 0 HG12 VAL A 60 8.556 3.516 6.887 1.00 0.59 H new ATOM 0 HG13 VAL A 60 7.075 3.616 5.907 1.00 0.59 H new ATOM 0 HG21 VAL A 60 8.527 3.588 3.192 1.00 0.47 H new ATOM 0 HG22 VAL A 60 7.209 4.716 3.588 1.00 0.47 H new ATOM 0 HG23 VAL A 60 8.781 5.343 3.035 1.00 0.47 H new ATOM 1049 N PRO A 61 10.501 7.322 5.664 1.00 0.41 N ATOM 1050 CA PRO A 61 11.437 8.315 5.144 1.00 0.41 C ATOM 1051 C PRO A 61 11.964 7.937 3.766 1.00 0.37 C ATOM 1052 O PRO A 61 12.065 6.763 3.425 1.00 0.36 O ATOM 1053 CB PRO A 61 12.576 8.325 6.171 1.00 0.52 C ATOM 1054 CG PRO A 61 12.453 7.043 6.919 1.00 0.71 C ATOM 1055 CD PRO A 61 10.998 6.669 6.884 1.00 0.51 C ATOM 0 HA PRO A 61 10.964 9.289 5.016 1.00 0.41 H new ATOM 0 HB2 PRO A 61 13.546 8.400 5.680 1.00 0.52 H new ATOM 0 HB3 PRO A 61 12.491 9.180 6.842 1.00 0.52 H new ATOM 0 HG2 PRO A 61 13.065 6.266 6.461 1.00 0.71 H new ATOM 0 HG3 PRO A 61 12.800 7.158 7.946 1.00 0.71 H new ATOM 0 HD2 PRO A 61 10.863 5.588 6.843 1.00 0.51 H new ATOM 0 HD3 PRO A 61 10.472 7.023 7.771 1.00 0.51 H new ATOM 1063 N GLN A 62 12.296 8.951 2.980 1.00 0.42 N ATOM 1064 CA GLN A 62 12.839 8.766 1.635 1.00 0.45 C ATOM 1065 C GLN A 62 14.176 8.021 1.660 1.00 0.43 C ATOM 1066 O GLN A 62 14.676 7.586 0.621 1.00 0.51 O ATOM 1067 CB GLN A 62 12.997 10.127 0.945 1.00 0.61 C ATOM 1068 CG GLN A 62 13.566 11.208 1.853 1.00 0.85 C ATOM 1069 CD GLN A 62 13.806 12.518 1.127 1.00 0.78 C ATOM 1070 OE1 GLN A 62 12.786 13.357 1.053 1.00 1.34 O flip ATOM 1071 NE2 GLN A 62 14.899 12.767 0.621 1.00 1.15 N flip ATOM 0 H GLN A 62 12.198 9.929 3.254 1.00 0.42 H new ATOM 0 HA GLN A 62 12.136 8.154 1.070 1.00 0.45 H new ATOM 0 HB2 GLN A 62 13.648 10.012 0.078 1.00 0.61 H new ATOM 0 HB3 GLN A 62 12.025 10.451 0.573 1.00 0.61 H new ATOM 0 HG2 GLN A 62 12.880 11.378 2.683 1.00 0.85 H new ATOM 0 HG3 GLN A 62 14.505 10.858 2.283 1.00 0.85 H new ATOM 0 HE21 GLN A 62 15.662 12.095 0.699 1.00 1.15 H new ATOM 0 HE22 GLN A 62 15.042 13.646 0.123 1.00 1.15 H new ATOM 1080 N GLU A 63 14.747 7.885 2.851 1.00 0.46 N ATOM 1081 CA GLU A 63 16.001 7.165 3.043 1.00 0.59 C ATOM 1082 C GLU A 63 15.712 5.673 3.249 1.00 0.51 C ATOM 1083 O GLU A 63 16.593 4.826 3.112 1.00 0.62 O ATOM 1084 CB GLU A 63 16.729 7.763 4.256 1.00 0.81 C ATOM 1085 CG GLU A 63 18.245 7.586 4.255 1.00 1.56 C ATOM 1086 CD GLU A 63 18.697 6.209 4.693 1.00 2.26 C ATOM 1087 OE1 GLU A 63 18.314 5.777 5.801 1.00 3.07 O ATOM 1088 OE2 GLU A 63 19.463 5.563 3.944 1.00 2.73 O ATOM 0 H GLU A 63 14.355 8.270 3.710 1.00 0.46 H new ATOM 0 HA GLU A 63 16.638 7.265 2.164 1.00 0.59 H new ATOM 0 HB2 GLU A 63 16.503 8.828 4.306 1.00 0.81 H new ATOM 0 HB3 GLU A 63 16.327 7.309 5.162 1.00 0.81 H new ATOM 0 HG2 GLU A 63 18.624 7.781 3.252 1.00 1.56 H new ATOM 0 HG3 GLU A 63 18.689 8.331 4.914 1.00 1.56 H new ATOM 1095 N LEU A 64 14.454 5.365 3.543 1.00 0.39 N ATOM 1096 CA LEU A 64 14.024 4.010 3.836 1.00 0.39 C ATOM 1097 C LEU A 64 13.972 3.202 2.542 1.00 0.45 C ATOM 1098 O LEU A 64 13.392 3.637 1.546 1.00 0.54 O ATOM 1099 CB LEU A 64 12.646 4.054 4.520 1.00 0.36 C ATOM 1100 CG LEU A 64 12.290 2.889 5.460 1.00 0.49 C ATOM 1101 CD1 LEU A 64 11.930 1.643 4.676 1.00 1.14 C ATOM 1102 CD2 LEU A 64 13.434 2.601 6.421 1.00 1.44 C ATOM 0 H LEU A 64 13.703 6.054 3.584 1.00 0.39 H new ATOM 0 HA LEU A 64 14.730 3.527 4.511 1.00 0.39 H new ATOM 0 HB2 LEU A 64 12.582 4.980 5.091 1.00 0.36 H new ATOM 0 HB3 LEU A 64 11.884 4.105 3.742 1.00 0.36 H new ATOM 0 HG LEU A 64 11.417 3.187 6.041 1.00 0.49 H new ATOM 0 HD11 LEU A 64 11.683 0.837 5.367 1.00 1.14 H new ATOM 0 HD12 LEU A 64 11.071 1.850 4.038 1.00 1.14 H new ATOM 0 HD13 LEU A 64 12.777 1.345 4.058 1.00 1.14 H new ATOM 0 HD21 LEU A 64 13.160 1.774 7.076 1.00 1.44 H new ATOM 0 HD22 LEU A 64 14.327 2.335 5.855 1.00 1.44 H new ATOM 0 HD23 LEU A 64 13.636 3.488 7.022 1.00 1.44 H new ATOM 1114 N THR A 65 14.614 2.051 2.557 1.00 0.49 N ATOM 1115 CA THR A 65 14.671 1.184 1.388 1.00 0.54 C ATOM 1116 C THR A 65 13.581 0.124 1.427 1.00 0.53 C ATOM 1117 O THR A 65 12.979 -0.119 2.473 1.00 0.51 O ATOM 1118 CB THR A 65 16.032 0.484 1.297 1.00 0.60 C ATOM 1119 OG1 THR A 65 16.291 -0.217 2.522 1.00 0.56 O ATOM 1120 CG2 THR A 65 17.139 1.492 1.025 1.00 0.68 C ATOM 0 H THR A 65 15.109 1.688 3.372 1.00 0.49 H new ATOM 0 HA THR A 65 14.521 1.818 0.514 1.00 0.54 H new ATOM 0 HB THR A 65 16.009 -0.226 0.470 1.00 0.60 H new ATOM 0 HG1 THR A 65 17.252 -0.392 2.602 1.00 0.56 H new ATOM 0 HG21 THR A 65 18.096 0.974 0.964 1.00 0.68 H new ATOM 0 HG22 THR A 65 16.942 2.003 0.082 1.00 0.68 H new ATOM 0 HG23 THR A 65 17.173 2.222 1.833 1.00 0.68 H new ATOM 1128 N MET A 66 13.335 -0.524 0.297 1.00 0.55 N ATOM 1129 CA MET A 66 12.338 -1.582 0.242 1.00 0.56 C ATOM 1130 C MET A 66 12.738 -2.764 1.122 1.00 0.52 C ATOM 1131 O MET A 66 11.878 -3.429 1.694 1.00 0.47 O ATOM 1132 CB MET A 66 12.103 -2.051 -1.191 1.00 0.62 C ATOM 1133 CG MET A 66 11.343 -1.049 -2.048 1.00 0.88 C ATOM 1134 SD MET A 66 10.994 -1.672 -3.706 1.00 1.39 S ATOM 1135 CE MET A 66 10.075 -3.161 -3.328 1.00 1.05 C ATOM 0 H MET A 66 13.808 -0.337 -0.587 1.00 0.55 H new ATOM 0 HA MET A 66 11.406 -1.166 0.624 1.00 0.56 H new ATOM 0 HB2 MET A 66 13.066 -2.258 -1.658 1.00 0.62 H new ATOM 0 HB3 MET A 66 11.550 -2.990 -1.170 1.00 0.62 H new ATOM 0 HG2 MET A 66 10.405 -0.794 -1.555 1.00 0.88 H new ATOM 0 HG3 MET A 66 11.923 -0.129 -2.125 1.00 0.88 H new ATOM 0 HE1 MET A 66 9.566 -3.512 -4.226 1.00 1.05 H new ATOM 0 HE2 MET A 66 10.760 -3.932 -2.975 1.00 1.05 H new ATOM 0 HE3 MET A 66 9.339 -2.947 -2.553 1.00 1.05 H new ATOM 1145 N THR A 67 14.038 -3.020 1.253 1.00 0.56 N ATOM 1146 CA THR A 67 14.498 -4.117 2.096 1.00 0.58 C ATOM 1147 C THR A 67 14.207 -3.820 3.570 1.00 0.47 C ATOM 1148 O THR A 67 13.772 -4.700 4.320 1.00 0.45 O ATOM 1149 CB THR A 67 16.000 -4.437 1.887 1.00 0.70 C ATOM 1150 OG1 THR A 67 16.362 -5.604 2.634 1.00 1.33 O ATOM 1151 CG2 THR A 67 16.884 -3.277 2.307 1.00 1.19 C ATOM 0 H THR A 67 14.780 -2.491 0.794 1.00 0.56 H new ATOM 0 HA THR A 67 13.941 -5.005 1.797 1.00 0.58 H new ATOM 0 HB THR A 67 16.153 -4.615 0.823 1.00 0.70 H new ATOM 0 HG1 THR A 67 17.312 -5.800 2.495 1.00 1.33 H new ATOM 0 HG21 THR A 67 17.930 -3.539 2.146 1.00 1.19 H new ATOM 0 HG22 THR A 67 16.635 -2.397 1.714 1.00 1.19 H new ATOM 0 HG23 THR A 67 16.723 -3.061 3.363 1.00 1.19 H new ATOM 1159 N GLN A 68 14.409 -2.569 3.977 1.00 0.47 N ATOM 1160 CA GLN A 68 14.074 -2.154 5.330 1.00 0.43 C ATOM 1161 C GLN A 68 12.564 -2.151 5.525 1.00 0.35 C ATOM 1162 O GLN A 68 12.065 -2.386 6.626 1.00 0.34 O ATOM 1163 CB GLN A 68 14.648 -0.771 5.634 1.00 0.50 C ATOM 1164 CG GLN A 68 16.148 -0.772 5.878 1.00 0.56 C ATOM 1165 CD GLN A 68 16.537 -1.634 7.063 1.00 1.33 C ATOM 1166 OE1 GLN A 68 15.760 -1.802 8.006 1.00 2.03 O ATOM 1167 NE2 GLN A 68 17.743 -2.173 7.034 1.00 1.98 N ATOM 0 H GLN A 68 14.801 -1.832 3.391 1.00 0.47 H new ATOM 0 HA GLN A 68 14.517 -2.869 6.023 1.00 0.43 H new ATOM 0 HB2 GLN A 68 14.425 -0.104 4.802 1.00 0.50 H new ATOM 0 HB3 GLN A 68 14.146 -0.364 6.512 1.00 0.50 H new ATOM 0 HG2 GLN A 68 16.659 -1.133 4.985 1.00 0.56 H new ATOM 0 HG3 GLN A 68 16.487 0.250 6.048 1.00 0.56 H new ATOM 0 HE21 GLN A 68 18.356 -2.010 6.235 1.00 1.98 H new ATOM 0 HE22 GLN A 68 18.061 -2.753 7.811 1.00 1.98 H new ATOM 1176 N PHE A 69 11.845 -1.890 4.443 1.00 0.35 N ATOM 1177 CA PHE A 69 10.392 -1.883 4.468 1.00 0.34 C ATOM 1178 C PHE A 69 9.862 -3.299 4.641 1.00 0.36 C ATOM 1179 O PHE A 69 8.885 -3.523 5.347 1.00 0.36 O ATOM 1180 CB PHE A 69 9.840 -1.255 3.190 1.00 0.42 C ATOM 1181 CG PHE A 69 8.360 -1.019 3.229 1.00 0.45 C ATOM 1182 CD1 PHE A 69 7.814 -0.153 4.163 1.00 1.26 C ATOM 1183 CD2 PHE A 69 7.518 -1.658 2.338 1.00 1.31 C ATOM 1184 CE1 PHE A 69 6.453 0.070 4.205 1.00 1.33 C ATOM 1185 CE2 PHE A 69 6.156 -1.439 2.375 1.00 1.30 C ATOM 1186 CZ PHE A 69 5.623 -0.574 3.312 1.00 0.59 C ATOM 0 H PHE A 69 12.249 -1.679 3.531 1.00 0.35 H new ATOM 0 HA PHE A 69 10.060 -1.283 5.315 1.00 0.34 H new ATOM 0 HB2 PHE A 69 10.346 -0.306 3.013 1.00 0.42 H new ATOM 0 HB3 PHE A 69 10.074 -1.903 2.346 1.00 0.42 H new ATOM 0 HD1 PHE A 69 8.460 0.353 4.865 1.00 1.26 H new ATOM 0 HD2 PHE A 69 7.930 -2.336 1.605 1.00 1.31 H new ATOM 0 HE1 PHE A 69 6.038 0.748 4.936 1.00 1.33 H new ATOM 0 HE2 PHE A 69 5.508 -1.943 1.673 1.00 1.30 H new ATOM 0 HZ PHE A 69 4.557 -0.403 3.345 1.00 0.59 H new ATOM 1196 N LEU A 70 10.522 -4.247 3.985 1.00 0.40 N ATOM 1197 CA LEU A 70 10.200 -5.663 4.141 1.00 0.46 C ATOM 1198 C LEU A 70 10.289 -6.072 5.607 1.00 0.47 C ATOM 1199 O LEU A 70 9.449 -6.819 6.108 1.00 0.52 O ATOM 1200 CB LEU A 70 11.159 -6.513 3.302 1.00 0.54 C ATOM 1201 CG LEU A 70 10.963 -6.426 1.785 1.00 0.77 C ATOM 1202 CD1 LEU A 70 12.016 -7.255 1.065 1.00 1.18 C ATOM 1203 CD2 LEU A 70 9.566 -6.888 1.396 1.00 1.43 C ATOM 0 H LEU A 70 11.287 -4.060 3.337 1.00 0.40 H new ATOM 0 HA LEU A 70 9.180 -5.828 3.795 1.00 0.46 H new ATOM 0 HB2 LEU A 70 12.181 -6.215 3.536 1.00 0.54 H new ATOM 0 HB3 LEU A 70 11.053 -7.555 3.605 1.00 0.54 H new ATOM 0 HG LEU A 70 11.076 -5.384 1.484 1.00 0.77 H new ATOM 0 HD11 LEU A 70 11.863 -7.182 -0.012 1.00 1.18 H new ATOM 0 HD12 LEU A 70 13.008 -6.880 1.316 1.00 1.18 H new ATOM 0 HD13 LEU A 70 11.933 -8.297 1.374 1.00 1.18 H new ATOM 0 HD21 LEU A 70 9.448 -6.818 0.315 1.00 1.43 H new ATOM 0 HD22 LEU A 70 9.424 -7.922 1.711 1.00 1.43 H new ATOM 0 HD23 LEU A 70 8.825 -6.255 1.884 1.00 1.43 H new ATOM 1215 N SER A 71 11.308 -5.562 6.289 1.00 0.45 N ATOM 1216 CA SER A 71 11.471 -5.799 7.718 1.00 0.50 C ATOM 1217 C SER A 71 10.276 -5.231 8.490 1.00 0.48 C ATOM 1218 O SER A 71 9.792 -5.837 9.449 1.00 0.56 O ATOM 1219 CB SER A 71 12.780 -5.164 8.207 1.00 0.55 C ATOM 1220 OG SER A 71 13.018 -5.444 9.575 1.00 1.50 O ATOM 0 H SER A 71 12.036 -4.980 5.874 1.00 0.45 H new ATOM 0 HA SER A 71 11.515 -6.873 7.897 1.00 0.50 H new ATOM 0 HB2 SER A 71 13.611 -5.537 7.609 1.00 0.55 H new ATOM 0 HB3 SER A 71 12.739 -4.085 8.058 1.00 0.55 H new ATOM 0 HG SER A 71 13.860 -5.026 9.853 1.00 1.50 H new ATOM 1226 N ILE A 72 9.794 -4.072 8.052 1.00 0.40 N ATOM 1227 CA ILE A 72 8.627 -3.448 8.661 1.00 0.39 C ATOM 1228 C ILE A 72 7.381 -4.294 8.418 1.00 0.40 C ATOM 1229 O ILE A 72 6.583 -4.516 9.328 1.00 0.46 O ATOM 1230 CB ILE A 72 8.391 -2.025 8.110 1.00 0.38 C ATOM 1231 CG1 ILE A 72 9.613 -1.141 8.375 1.00 0.42 C ATOM 1232 CG2 ILE A 72 7.142 -1.418 8.736 1.00 0.43 C ATOM 1233 CD1 ILE A 72 9.496 0.257 7.801 1.00 0.46 C ATOM 0 H ILE A 72 10.195 -3.546 7.276 1.00 0.40 H new ATOM 0 HA ILE A 72 8.820 -3.378 9.731 1.00 0.39 H new ATOM 0 HB ILE A 72 8.241 -2.087 7.032 1.00 0.38 H new ATOM 0 HG12 ILE A 72 9.771 -1.069 9.451 1.00 0.42 H new ATOM 0 HG13 ILE A 72 10.496 -1.623 7.955 1.00 0.42 H new ATOM 0 HG21 ILE A 72 6.987 -0.415 8.339 1.00 0.43 H new ATOM 0 HG22 ILE A 72 6.278 -2.039 8.500 1.00 0.43 H new ATOM 0 HG23 ILE A 72 7.266 -1.365 9.818 1.00 0.43 H new ATOM 0 HD11 ILE A 72 10.400 0.821 8.030 1.00 0.46 H new ATOM 0 HD12 ILE A 72 9.370 0.197 6.720 1.00 0.46 H new ATOM 0 HD13 ILE A 72 8.634 0.759 8.239 1.00 0.46 H new ATOM 1245 N ILE A 73 7.232 -4.776 7.188 1.00 0.40 N ATOM 1246 CA ILE A 73 6.104 -5.627 6.822 1.00 0.47 C ATOM 1247 C ILE A 73 6.079 -6.884 7.686 1.00 0.56 C ATOM 1248 O ILE A 73 5.028 -7.285 8.183 1.00 0.64 O ATOM 1249 CB ILE A 73 6.158 -6.034 5.332 1.00 0.52 C ATOM 1250 CG1 ILE A 73 6.126 -4.793 4.433 1.00 0.51 C ATOM 1251 CG2 ILE A 73 5.008 -6.972 4.985 1.00 0.65 C ATOM 1252 CD1 ILE A 73 4.893 -3.935 4.620 1.00 1.08 C ATOM 0 H ILE A 73 7.882 -4.591 6.424 1.00 0.40 H new ATOM 0 HA ILE A 73 5.196 -5.048 6.991 1.00 0.47 H new ATOM 0 HB ILE A 73 7.095 -6.563 5.159 1.00 0.52 H new ATOM 0 HG12 ILE A 73 7.011 -4.189 4.632 1.00 0.51 H new ATOM 0 HG13 ILE A 73 6.183 -5.109 3.391 1.00 0.51 H new ATOM 0 HG21 ILE A 73 5.066 -7.245 3.931 1.00 0.65 H new ATOM 0 HG22 ILE A 73 5.075 -7.871 5.597 1.00 0.65 H new ATOM 0 HG23 ILE A 73 4.059 -6.471 5.178 1.00 0.65 H new ATOM 0 HD11 ILE A 73 4.942 -3.076 3.950 1.00 1.08 H new ATOM 0 HD12 ILE A 73 4.003 -4.522 4.392 1.00 1.08 H new ATOM 0 HD13 ILE A 73 4.844 -3.588 5.652 1.00 1.08 H new ATOM 1264 N ARG A 74 7.250 -7.480 7.876 1.00 0.60 N ATOM 1265 CA ARG A 74 7.396 -8.667 8.712 1.00 0.75 C ATOM 1266 C ARG A 74 6.929 -8.375 10.140 1.00 0.75 C ATOM 1267 O ARG A 74 6.307 -9.218 10.789 1.00 0.84 O ATOM 1268 CB ARG A 74 8.860 -9.113 8.711 1.00 0.86 C ATOM 1269 CG ARG A 74 9.128 -10.408 9.462 1.00 1.15 C ATOM 1270 CD ARG A 74 10.616 -10.725 9.471 1.00 1.07 C ATOM 1271 NE ARG A 74 10.923 -11.978 10.160 1.00 1.72 N ATOM 1272 CZ ARG A 74 12.058 -12.195 10.828 1.00 2.15 C ATOM 1273 NH1 ARG A 74 12.983 -11.246 10.903 1.00 2.13 N ATOM 1274 NH2 ARG A 74 12.271 -13.367 11.407 1.00 3.12 N ATOM 0 H ARG A 74 8.122 -7.156 7.457 1.00 0.60 H new ATOM 0 HA ARG A 74 6.777 -9.468 8.308 1.00 0.75 H new ATOM 0 HB2 ARG A 74 9.189 -9.232 7.679 1.00 0.86 H new ATOM 0 HB3 ARG A 74 9.468 -8.322 9.150 1.00 0.86 H new ATOM 0 HG2 ARG A 74 8.763 -10.323 10.485 1.00 1.15 H new ATOM 0 HG3 ARG A 74 8.579 -11.226 8.995 1.00 1.15 H new ATOM 0 HD2 ARG A 74 10.977 -10.782 8.444 1.00 1.07 H new ATOM 0 HD3 ARG A 74 11.154 -9.909 9.953 1.00 1.07 H new ATOM 0 HE ARG A 74 10.232 -12.727 10.128 1.00 1.72 H new ATOM 0 HH11 ARG A 74 12.828 -10.346 10.449 1.00 2.13 H new ATOM 0 HH12 ARG A 74 13.849 -11.417 11.415 1.00 2.13 H new ATOM 0 HH21 ARG A 74 11.568 -14.103 11.342 1.00 3.12 H new ATOM 0 HH22 ARG A 74 13.138 -13.533 11.918 1.00 3.12 H new ATOM 1288 N SER A 75 7.216 -7.168 10.609 1.00 0.67 N ATOM 1289 CA SER A 75 6.842 -6.757 11.955 1.00 0.71 C ATOM 1290 C SER A 75 5.360 -6.366 12.029 1.00 0.65 C ATOM 1291 O SER A 75 4.769 -6.343 13.108 1.00 0.70 O ATOM 1292 CB SER A 75 7.723 -5.588 12.397 1.00 0.71 C ATOM 1293 OG SER A 75 9.099 -5.925 12.288 1.00 1.33 O ATOM 0 H SER A 75 7.709 -6.453 10.074 1.00 0.67 H new ATOM 0 HA SER A 75 6.994 -7.601 12.627 1.00 0.71 H new ATOM 0 HB2 SER A 75 7.508 -4.713 11.784 1.00 0.71 H new ATOM 0 HB3 SER A 75 7.490 -5.320 13.428 1.00 0.71 H new ATOM 0 HG SER A 75 9.367 -5.907 11.345 1.00 1.33 H new ATOM 1299 N ARG A 76 4.767 -6.076 10.874 1.00 0.60 N ATOM 1300 CA ARG A 76 3.388 -5.603 10.809 1.00 0.60 C ATOM 1301 C ARG A 76 2.436 -6.759 10.503 1.00 0.66 C ATOM 1302 O ARG A 76 1.223 -6.570 10.340 1.00 0.70 O ATOM 1303 CB ARG A 76 3.260 -4.520 9.736 1.00 0.58 C ATOM 1304 CG ARG A 76 2.102 -3.557 9.954 1.00 1.15 C ATOM 1305 CD ARG A 76 2.342 -2.653 11.156 1.00 1.27 C ATOM 1306 NE ARG A 76 2.236 -3.377 12.420 1.00 1.86 N ATOM 1307 CZ ARG A 76 3.076 -3.231 13.445 1.00 2.28 C ATOM 1308 NH1 ARG A 76 4.082 -2.365 13.371 1.00 2.42 N ATOM 1309 NH2 ARG A 76 2.908 -3.957 14.544 1.00 3.11 N ATOM 0 H ARG A 76 5.223 -6.161 9.966 1.00 0.60 H new ATOM 0 HA ARG A 76 3.118 -5.182 11.778 1.00 0.60 H new ATOM 0 HB2 ARG A 76 4.189 -3.951 9.698 1.00 0.58 H new ATOM 0 HB3 ARG A 76 3.141 -5.000 8.765 1.00 0.58 H new ATOM 0 HG2 ARG A 76 1.963 -2.947 9.062 1.00 1.15 H new ATOM 0 HG3 ARG A 76 1.181 -4.122 10.101 1.00 1.15 H new ATOM 0 HD2 ARG A 76 3.332 -2.203 11.079 1.00 1.27 H new ATOM 0 HD3 ARG A 76 1.620 -1.837 11.145 1.00 1.27 H new ATOM 0 HE ARG A 76 1.467 -4.039 12.526 1.00 1.86 H new ATOM 0 HH11 ARG A 76 4.214 -1.808 12.527 1.00 2.42 H new ATOM 0 HH12 ARG A 76 4.721 -2.258 14.158 1.00 2.42 H new ATOM 0 HH21 ARG A 76 2.138 -4.624 14.602 1.00 3.11 H new ATOM 0 HH22 ARG A 76 3.549 -3.848 15.330 1.00 3.11 H new ATOM 1323 N MET A 77 2.999 -7.953 10.424 1.00 0.71 N ATOM 1324 CA MET A 77 2.231 -9.154 10.136 1.00 0.80 C ATOM 1325 C MET A 77 1.381 -9.554 11.329 1.00 0.82 C ATOM 1326 O MET A 77 1.852 -9.569 12.469 1.00 0.81 O ATOM 1327 CB MET A 77 3.169 -10.302 9.760 1.00 0.89 C ATOM 1328 CG MET A 77 3.796 -10.148 8.387 1.00 1.02 C ATOM 1329 SD MET A 77 5.046 -11.400 8.044 1.00 1.28 S ATOM 1330 CE MET A 77 5.381 -11.050 6.321 1.00 1.06 C ATOM 0 H MET A 77 3.997 -8.118 10.557 1.00 0.71 H new ATOM 0 HA MET A 77 1.569 -8.940 9.297 1.00 0.80 H new ATOM 0 HB2 MET A 77 3.961 -10.373 10.506 1.00 0.89 H new ATOM 0 HB3 MET A 77 2.614 -11.240 9.794 1.00 0.89 H new ATOM 0 HG2 MET A 77 3.015 -10.203 7.628 1.00 1.02 H new ATOM 0 HG3 MET A 77 4.248 -9.159 8.308 1.00 1.02 H new ATOM 0 HE1 MET A 77 6.139 -11.740 5.950 1.00 1.06 H new ATOM 0 HE2 MET A 77 4.466 -11.170 5.741 1.00 1.06 H new ATOM 0 HE3 MET A 77 5.743 -10.027 6.221 1.00 1.06 H new ATOM 1340 N VAL A 78 0.118 -9.852 11.063 1.00 0.89 N ATOM 1341 CA VAL A 78 -0.774 -10.363 12.093 1.00 0.97 C ATOM 1342 C VAL A 78 -0.505 -11.847 12.309 1.00 1.00 C ATOM 1343 O VAL A 78 -0.619 -12.364 13.420 1.00 1.07 O ATOM 1344 CB VAL A 78 -2.259 -10.147 11.725 1.00 1.02 C ATOM 1345 CG1 VAL A 78 -3.168 -10.610 12.852 1.00 1.28 C ATOM 1346 CG2 VAL A 78 -2.520 -8.685 11.397 1.00 1.66 C ATOM 0 H VAL A 78 -0.312 -9.749 10.144 1.00 0.89 H new ATOM 0 HA VAL A 78 -0.578 -9.811 13.012 1.00 0.97 H new ATOM 0 HB VAL A 78 -2.481 -10.745 10.841 1.00 1.02 H new ATOM 0 HG11 VAL A 78 -4.208 -10.448 12.570 1.00 1.28 H new ATOM 0 HG12 VAL A 78 -3.004 -11.671 13.039 1.00 1.28 H new ATOM 0 HG13 VAL A 78 -2.945 -10.043 13.756 1.00 1.28 H new ATOM 0 HG21 VAL A 78 -3.571 -8.552 11.140 1.00 1.66 H new ATOM 0 HG22 VAL A 78 -2.277 -8.069 12.263 1.00 1.66 H new ATOM 0 HG23 VAL A 78 -1.899 -8.385 10.553 1.00 1.66 H new ATOM 1356 N LEU A 79 -0.121 -12.517 11.236 1.00 1.03 N ATOM 1357 CA LEU A 79 0.251 -13.920 11.296 1.00 1.12 C ATOM 1358 C LEU A 79 1.731 -14.026 11.650 1.00 1.09 C ATOM 1359 O LEU A 79 2.584 -13.513 10.928 1.00 1.19 O ATOM 1360 CB LEU A 79 -0.031 -14.594 9.951 1.00 1.35 C ATOM 1361 CG LEU A 79 0.075 -16.121 9.939 1.00 1.60 C ATOM 1362 CD1 LEU A 79 -0.963 -16.734 10.862 1.00 2.06 C ATOM 1363 CD2 LEU A 79 -0.096 -16.655 8.526 1.00 2.29 C ATOM 0 H LEU A 79 -0.058 -12.107 10.304 1.00 1.03 H new ATOM 0 HA LEU A 79 -0.338 -14.427 12.061 1.00 1.12 H new ATOM 0 HB2 LEU A 79 -1.034 -14.315 9.629 1.00 1.35 H new ATOM 0 HB3 LEU A 79 0.664 -14.194 9.212 1.00 1.35 H new ATOM 0 HG LEU A 79 1.066 -16.399 10.298 1.00 1.60 H new ATOM 0 HD11 LEU A 79 -0.873 -17.820 10.841 1.00 2.06 H new ATOM 0 HD12 LEU A 79 -0.802 -16.376 11.879 1.00 2.06 H new ATOM 0 HD13 LEU A 79 -1.960 -16.446 10.530 1.00 2.06 H new ATOM 0 HD21 LEU A 79 -0.018 -17.742 8.536 1.00 2.29 H new ATOM 0 HD22 LEU A 79 -1.075 -16.365 8.143 1.00 2.29 H new ATOM 0 HD23 LEU A 79 0.682 -16.241 7.884 1.00 2.29 H new ATOM 1375 N ARG A 80 2.032 -14.671 12.764 1.00 1.18 N ATOM 1376 CA ARG A 80 3.398 -14.702 13.270 1.00 1.28 C ATOM 1377 C ARG A 80 4.258 -15.704 12.505 1.00 1.31 C ATOM 1378 O ARG A 80 3.873 -16.863 12.330 1.00 1.48 O ATOM 1379 CB ARG A 80 3.404 -15.033 14.765 1.00 1.62 C ATOM 1380 CG ARG A 80 4.789 -14.989 15.398 1.00 2.43 C ATOM 1381 CD ARG A 80 5.437 -13.624 15.230 1.00 2.82 C ATOM 1382 NE ARG A 80 6.759 -13.557 15.846 1.00 3.25 N ATOM 1383 CZ ARG A 80 7.632 -12.574 15.633 1.00 3.84 C ATOM 1384 NH1 ARG A 80 7.334 -11.582 14.802 1.00 4.09 N ATOM 1385 NH2 ARG A 80 8.806 -12.585 16.248 1.00 4.54 N ATOM 0 H ARG A 80 1.355 -15.178 13.334 1.00 1.18 H new ATOM 0 HA ARG A 80 3.828 -13.712 13.121 1.00 1.28 H new ATOM 0 HB2 ARG A 80 2.754 -14.330 15.286 1.00 1.62 H new ATOM 0 HB3 ARG A 80 2.980 -16.027 14.910 1.00 1.62 H new ATOM 0 HG2 ARG A 80 4.713 -15.228 16.459 1.00 2.43 H new ATOM 0 HG3 ARG A 80 5.422 -15.751 14.944 1.00 2.43 H new ATOM 0 HD2 ARG A 80 5.522 -13.393 14.168 1.00 2.82 H new ATOM 0 HD3 ARG A 80 4.794 -12.863 15.672 1.00 2.82 H new ATOM 0 HE ARG A 80 7.031 -14.310 16.479 1.00 3.25 H new ATOM 0 HH11 ARG A 80 6.433 -11.571 14.324 1.00 4.09 H new ATOM 0 HH12 ARG A 80 8.006 -10.831 14.642 1.00 4.09 H new ATOM 0 HH21 ARG A 80 9.041 -13.346 16.885 1.00 4.54 H new ATOM 0 HH22 ARG A 80 9.474 -11.832 16.085 1.00 4.54 H new ATOM 1399 N ALA A 81 5.415 -15.225 12.042 1.00 1.49 N ATOM 1400 CA ALA A 81 6.425 -16.063 11.397 1.00 1.84 C ATOM 1401 C ALA A 81 5.955 -16.583 10.045 1.00 1.79 C ATOM 1402 O ALA A 81 6.336 -17.673 9.614 1.00 2.59 O ATOM 1403 CB ALA A 81 6.836 -17.213 12.303 1.00 2.91 C ATOM 0 H ALA A 81 5.677 -14.241 12.105 1.00 1.49 H new ATOM 0 HA ALA A 81 7.298 -15.435 11.218 1.00 1.84 H new ATOM 0 HB1 ALA A 81 7.588 -17.821 11.800 1.00 2.91 H new ATOM 0 HB2 ALA A 81 7.251 -16.816 13.230 1.00 2.91 H new ATOM 0 HB3 ALA A 81 5.964 -17.827 12.529 1.00 2.91 H new ATOM 1409 N THR A 82 5.135 -15.794 9.374 1.00 1.83 N ATOM 1410 CA THR A 82 4.706 -16.118 8.021 1.00 2.56 C ATOM 1411 C THR A 82 5.652 -15.456 7.015 1.00 2.23 C ATOM 1412 O THR A 82 5.254 -15.008 5.935 1.00 2.92 O ATOM 1413 CB THR A 82 3.238 -15.687 7.775 1.00 3.57 C ATOM 1414 OG1 THR A 82 2.779 -16.171 6.507 1.00 4.30 O ATOM 1415 CG2 THR A 82 3.080 -14.174 7.829 1.00 4.27 C ATOM 0 H THR A 82 4.752 -14.923 9.742 1.00 1.83 H new ATOM 0 HA THR A 82 4.746 -17.199 7.889 1.00 2.56 H new ATOM 0 HB THR A 82 2.635 -16.123 8.571 1.00 3.57 H new ATOM 0 HG1 THR A 82 3.428 -15.934 5.812 1.00 4.30 H new ATOM 0 HG21 THR A 82 2.037 -13.911 7.652 1.00 4.27 H new ATOM 0 HG22 THR A 82 3.384 -13.811 8.811 1.00 4.27 H new ATOM 0 HG23 THR A 82 3.705 -13.715 7.063 1.00 4.27 H new ATOM 1423 N GLU A 83 6.924 -15.425 7.392 1.00 1.53 N ATOM 1424 CA GLU A 83 7.955 -14.751 6.646 1.00 1.50 C ATOM 1425 C GLU A 83 8.360 -15.517 5.388 1.00 1.17 C ATOM 1426 O GLU A 83 9.344 -16.257 5.372 1.00 1.67 O ATOM 1427 CB GLU A 83 9.156 -14.558 7.550 1.00 2.09 C ATOM 1428 CG GLU A 83 9.467 -15.765 8.425 1.00 2.50 C ATOM 1429 CD GLU A 83 10.639 -15.534 9.349 1.00 2.97 C ATOM 1430 OE1 GLU A 83 10.430 -14.990 10.449 1.00 3.64 O ATOM 1431 OE2 GLU A 83 11.776 -15.902 8.981 1.00 3.25 O ATOM 0 H GLU A 83 7.264 -15.878 8.240 1.00 1.53 H new ATOM 0 HA GLU A 83 7.565 -13.789 6.314 1.00 1.50 H new ATOM 0 HB2 GLU A 83 10.028 -14.331 6.937 1.00 2.09 H new ATOM 0 HB3 GLU A 83 8.982 -13.692 8.189 1.00 2.09 H new ATOM 0 HG2 GLU A 83 8.587 -16.014 9.018 1.00 2.50 H new ATOM 0 HG3 GLU A 83 9.676 -16.625 7.788 1.00 2.50 H new ATOM 1438 N ALA A 84 7.585 -15.311 4.346 1.00 1.00 N ATOM 1439 CA ALA A 84 7.844 -15.885 3.033 1.00 0.89 C ATOM 1440 C ALA A 84 6.858 -15.317 2.033 1.00 0.77 C ATOM 1441 O ALA A 84 5.711 -15.768 1.944 1.00 0.92 O ATOM 1442 CB ALA A 84 7.748 -17.398 3.056 1.00 1.27 C ATOM 0 H ALA A 84 6.745 -14.733 4.382 1.00 1.00 H new ATOM 0 HA ALA A 84 8.861 -15.624 2.740 1.00 0.89 H new ATOM 0 HB1 ALA A 84 7.947 -17.790 2.059 1.00 1.27 H new ATOM 0 HB2 ALA A 84 8.481 -17.798 3.757 1.00 1.27 H new ATOM 0 HB3 ALA A 84 6.747 -17.694 3.369 1.00 1.27 H new ATOM 1448 N PHE A 85 7.307 -14.323 1.291 1.00 0.63 N ATOM 1449 CA PHE A 85 6.428 -13.569 0.411 1.00 0.53 C ATOM 1450 C PHE A 85 7.230 -12.602 -0.452 1.00 0.51 C ATOM 1451 O PHE A 85 8.315 -12.159 -0.069 1.00 0.58 O ATOM 1452 CB PHE A 85 5.387 -12.800 1.237 1.00 0.50 C ATOM 1453 CG PHE A 85 5.928 -11.573 1.918 1.00 0.50 C ATOM 1454 CD1 PHE A 85 6.893 -11.670 2.910 1.00 1.33 C ATOM 1455 CD2 PHE A 85 5.470 -10.321 1.556 1.00 1.08 C ATOM 1456 CE1 PHE A 85 7.389 -10.536 3.523 1.00 1.38 C ATOM 1457 CE2 PHE A 85 5.960 -9.185 2.164 1.00 1.09 C ATOM 1458 CZ PHE A 85 6.923 -9.292 3.150 1.00 0.62 C ATOM 0 H PHE A 85 8.280 -14.016 1.279 1.00 0.63 H new ATOM 0 HA PHE A 85 5.913 -14.271 -0.245 1.00 0.53 H new ATOM 0 HB2 PHE A 85 4.565 -12.507 0.584 1.00 0.50 H new ATOM 0 HB3 PHE A 85 4.972 -13.468 1.992 1.00 0.50 H new ATOM 0 HD1 PHE A 85 7.260 -12.642 3.206 1.00 1.33 H new ATOM 0 HD2 PHE A 85 4.718 -10.231 0.786 1.00 1.08 H new ATOM 0 HE1 PHE A 85 8.141 -10.623 4.293 1.00 1.38 H new ATOM 0 HE2 PHE A 85 5.592 -8.213 1.870 1.00 1.09 H new ATOM 0 HZ PHE A 85 7.310 -8.404 3.627 1.00 0.62 H new ATOM 1468 N TYR A 86 6.694 -12.288 -1.619 1.00 0.49 N ATOM 1469 CA TYR A 86 7.328 -11.352 -2.532 1.00 0.55 C ATOM 1470 C TYR A 86 6.547 -10.045 -2.558 1.00 0.53 C ATOM 1471 O TYR A 86 5.351 -10.021 -2.254 1.00 0.48 O ATOM 1472 CB TYR A 86 7.406 -11.947 -3.940 1.00 0.65 C ATOM 1473 CG TYR A 86 8.089 -13.294 -3.993 1.00 0.96 C ATOM 1474 CD1 TYR A 86 9.474 -13.397 -3.957 1.00 1.96 C ATOM 1475 CD2 TYR A 86 7.346 -14.464 -4.074 1.00 1.54 C ATOM 1476 CE1 TYR A 86 10.099 -14.629 -4.004 1.00 2.64 C ATOM 1477 CE2 TYR A 86 7.963 -15.698 -4.120 1.00 2.12 C ATOM 1478 CZ TYR A 86 9.339 -15.775 -4.085 1.00 2.49 C ATOM 1479 OH TYR A 86 9.957 -17.004 -4.132 1.00 3.30 O ATOM 0 H TYR A 86 5.812 -12.672 -1.959 1.00 0.49 H new ATOM 0 HA TYR A 86 8.342 -11.155 -2.184 1.00 0.55 H new ATOM 0 HB2 TYR A 86 6.397 -12.045 -4.340 1.00 0.65 H new ATOM 0 HB3 TYR A 86 7.940 -11.253 -4.589 1.00 0.65 H new ATOM 0 HD1 TYR A 86 10.072 -12.500 -3.891 1.00 1.96 H new ATOM 0 HD2 TYR A 86 6.268 -14.408 -4.101 1.00 1.54 H new ATOM 0 HE1 TYR A 86 11.177 -14.693 -3.977 1.00 2.64 H new ATOM 0 HE2 TYR A 86 7.371 -16.599 -4.183 1.00 2.12 H new ATOM 0 HH TYR A 86 9.279 -17.709 -4.187 1.00 3.30 H new ATOM 1489 N LEU A 87 7.221 -8.962 -2.922 1.00 0.62 N ATOM 1490 CA LEU A 87 6.597 -7.649 -2.952 1.00 0.63 C ATOM 1491 C LEU A 87 6.671 -7.054 -4.357 1.00 0.67 C ATOM 1492 O LEU A 87 7.754 -6.929 -4.934 1.00 0.91 O ATOM 1493 CB LEU A 87 7.280 -6.718 -1.943 1.00 0.81 C ATOM 1494 CG LEU A 87 6.609 -5.354 -1.744 1.00 0.83 C ATOM 1495 CD1 LEU A 87 5.218 -5.521 -1.154 1.00 1.44 C ATOM 1496 CD2 LEU A 87 7.462 -4.467 -0.847 1.00 1.56 C ATOM 0 H LEU A 87 8.202 -8.969 -3.201 1.00 0.62 H new ATOM 0 HA LEU A 87 5.547 -7.755 -2.678 1.00 0.63 H new ATOM 0 HB2 LEU A 87 7.325 -7.225 -0.979 1.00 0.81 H new ATOM 0 HB3 LEU A 87 8.308 -6.554 -2.265 1.00 0.81 H new ATOM 0 HG LEU A 87 6.514 -4.874 -2.718 1.00 0.83 H new ATOM 0 HD11 LEU A 87 4.759 -4.541 -1.021 1.00 1.44 H new ATOM 0 HD12 LEU A 87 4.606 -6.119 -1.829 1.00 1.44 H new ATOM 0 HD13 LEU A 87 5.290 -6.022 -0.189 1.00 1.44 H new ATOM 0 HD21 LEU A 87 6.971 -3.503 -0.716 1.00 1.56 H new ATOM 0 HD22 LEU A 87 7.587 -4.945 0.124 1.00 1.56 H new ATOM 0 HD23 LEU A 87 8.439 -4.317 -1.306 1.00 1.56 H new ATOM 1508 N LEU A 88 5.515 -6.708 -4.903 1.00 0.52 N ATOM 1509 CA LEU A 88 5.431 -6.106 -6.230 1.00 0.60 C ATOM 1510 C LEU A 88 4.957 -4.665 -6.114 1.00 0.69 C ATOM 1511 O LEU A 88 3.950 -4.392 -5.465 1.00 0.75 O ATOM 1512 CB LEU A 88 4.461 -6.899 -7.112 1.00 0.63 C ATOM 1513 CG LEU A 88 4.834 -8.362 -7.353 1.00 0.70 C ATOM 1514 CD1 LEU A 88 3.707 -9.085 -8.071 1.00 1.54 C ATOM 1515 CD2 LEU A 88 6.119 -8.460 -8.157 1.00 1.48 C ATOM 0 H LEU A 88 4.613 -6.834 -4.444 1.00 0.52 H new ATOM 0 HA LEU A 88 6.420 -6.125 -6.687 1.00 0.60 H new ATOM 0 HB2 LEU A 88 3.472 -6.865 -6.655 1.00 0.63 H new ATOM 0 HB3 LEU A 88 4.383 -6.399 -8.077 1.00 0.63 H new ATOM 0 HG LEU A 88 4.994 -8.839 -6.386 1.00 0.70 H new ATOM 0 HD11 LEU A 88 3.988 -10.125 -8.235 1.00 1.54 H new ATOM 0 HD12 LEU A 88 2.803 -9.045 -7.463 1.00 1.54 H new ATOM 0 HD13 LEU A 88 3.520 -8.604 -9.031 1.00 1.54 H new ATOM 0 HD21 LEU A 88 6.368 -9.509 -8.318 1.00 1.48 H new ATOM 0 HD22 LEU A 88 5.984 -7.967 -9.120 1.00 1.48 H new ATOM 0 HD23 LEU A 88 6.928 -7.975 -7.611 1.00 1.48 H new ATOM 1527 N VAL A 89 5.676 -3.747 -6.740 1.00 0.78 N ATOM 1528 CA VAL A 89 5.345 -2.333 -6.644 1.00 0.93 C ATOM 1529 C VAL A 89 4.831 -1.793 -7.975 1.00 1.07 C ATOM 1530 O VAL A 89 5.554 -1.795 -8.977 1.00 1.19 O ATOM 1531 CB VAL A 89 6.560 -1.492 -6.204 1.00 1.10 C ATOM 1532 CG1 VAL A 89 6.160 -0.039 -5.997 1.00 1.31 C ATOM 1533 CG2 VAL A 89 7.184 -2.066 -4.944 1.00 1.11 C ATOM 0 H VAL A 89 6.490 -3.954 -7.318 1.00 0.78 H new ATOM 0 HA VAL A 89 4.562 -2.250 -5.890 1.00 0.93 H new ATOM 0 HB VAL A 89 7.306 -1.529 -6.997 1.00 1.10 H new ATOM 0 HG11 VAL A 89 7.031 0.538 -5.687 1.00 1.31 H new ATOM 0 HG12 VAL A 89 5.769 0.367 -6.930 1.00 1.31 H new ATOM 0 HG13 VAL A 89 5.392 0.021 -5.226 1.00 1.31 H new ATOM 0 HG21 VAL A 89 8.039 -1.457 -4.652 1.00 1.11 H new ATOM 0 HG22 VAL A 89 6.447 -2.066 -4.141 1.00 1.11 H new ATOM 0 HG23 VAL A 89 7.514 -3.087 -5.134 1.00 1.11 H new ATOM 1543 N ASN A 90 3.575 -1.354 -7.971 1.00 1.13 N ATOM 1544 CA ASN A 90 2.959 -0.699 -9.129 1.00 1.36 C ATOM 1545 C ASN A 90 2.998 -1.600 -10.368 1.00 1.43 C ATOM 1546 O ASN A 90 3.095 -1.119 -11.497 1.00 1.64 O ATOM 1547 CB ASN A 90 3.659 0.644 -9.405 1.00 1.58 C ATOM 1548 CG ASN A 90 2.929 1.515 -10.418 1.00 1.62 C ATOM 1549 OD1 ASN A 90 1.605 1.446 -10.427 1.00 2.22 O flip ATOM 1550 ND2 ASN A 90 3.550 2.264 -11.172 1.00 1.89 N flip ATOM 0 H ASN A 90 2.953 -1.441 -7.167 1.00 1.13 H new ATOM 0 HA ASN A 90 1.911 -0.510 -8.898 1.00 1.36 H new ATOM 0 HB2 ASN A 90 3.755 1.193 -8.468 1.00 1.58 H new ATOM 0 HB3 ASN A 90 4.669 0.450 -9.766 1.00 1.58 H new ATOM 0 HD21 ASN A 90 4.569 2.292 -11.138 1.00 1.89 H new ATOM 0 HD22 ASN A 90 3.046 2.857 -11.831 1.00 1.89 H new ATOM 1557 N ASN A 91 2.936 -2.917 -10.142 1.00 1.31 N ATOM 1558 CA ASN A 91 2.902 -3.914 -11.226 1.00 1.48 C ATOM 1559 C ASN A 91 4.228 -3.972 -12.007 1.00 1.59 C ATOM 1560 O ASN A 91 4.421 -4.840 -12.853 1.00 1.80 O ATOM 1561 CB ASN A 91 1.720 -3.607 -12.172 1.00 1.73 C ATOM 1562 CG ASN A 91 1.672 -4.485 -13.414 1.00 2.02 C ATOM 1563 OD1 ASN A 91 2.222 -4.136 -14.461 1.00 2.53 O ATOM 1564 ND2 ASN A 91 1.005 -5.622 -13.315 1.00 2.31 N ATOM 0 H ASN A 91 2.908 -3.324 -9.207 1.00 1.31 H new ATOM 0 HA ASN A 91 2.762 -4.897 -10.776 1.00 1.48 H new ATOM 0 HB2 ASN A 91 0.787 -3.726 -11.620 1.00 1.73 H new ATOM 0 HB3 ASN A 91 1.777 -2.563 -12.480 1.00 1.73 H new ATOM 0 HD21 ASN A 91 0.933 -6.243 -14.121 1.00 2.31 H new ATOM 0 HD22 ASN A 91 0.562 -5.878 -12.433 1.00 2.31 H new ATOM 1571 N LYS A 92 5.167 -3.096 -11.680 1.00 1.53 N ATOM 1572 CA LYS A 92 6.381 -2.967 -12.479 1.00 1.72 C ATOM 1573 C LYS A 92 7.623 -3.401 -11.704 1.00 1.45 C ATOM 1574 O LYS A 92 8.338 -4.308 -12.126 1.00 1.47 O ATOM 1575 CB LYS A 92 6.532 -1.523 -12.963 1.00 2.06 C ATOM 1576 CG LYS A 92 5.372 -1.044 -13.825 1.00 2.55 C ATOM 1577 CD LYS A 92 5.329 -1.762 -15.165 1.00 3.00 C ATOM 1578 CE LYS A 92 4.022 -1.502 -15.902 1.00 3.63 C ATOM 1579 NZ LYS A 92 3.760 -0.051 -16.099 1.00 3.95 N ATOM 0 H LYS A 92 5.115 -2.470 -10.877 1.00 1.53 H new ATOM 0 HA LYS A 92 6.288 -3.631 -13.338 1.00 1.72 H new ATOM 0 HB2 LYS A 92 6.626 -0.867 -12.098 1.00 2.06 H new ATOM 0 HB3 LYS A 92 7.457 -1.434 -13.532 1.00 2.06 H new ATOM 0 HG2 LYS A 92 4.434 -1.208 -13.295 1.00 2.55 H new ATOM 0 HG3 LYS A 92 5.462 0.030 -13.991 1.00 2.55 H new ATOM 0 HD2 LYS A 92 6.166 -1.433 -15.781 1.00 3.00 H new ATOM 0 HD3 LYS A 92 5.451 -2.834 -15.008 1.00 3.00 H new ATOM 0 HE2 LYS A 92 4.050 -1.998 -16.872 1.00 3.63 H new ATOM 0 HE3 LYS A 92 3.198 -1.944 -15.342 1.00 3.63 H new ATOM 0 HZ1 LYS A 92 2.924 0.072 -16.706 1.00 3.95 H new ATOM 0 HZ2 LYS A 92 3.588 0.399 -15.177 1.00 3.95 H new ATOM 0 HZ3 LYS A 92 4.585 0.392 -16.552 1.00 3.95 H new ATOM 1593 N SER A 93 7.870 -2.762 -10.569 1.00 1.35 N ATOM 1594 CA SER A 93 9.069 -3.044 -9.792 1.00 1.32 C ATOM 1595 C SER A 93 8.846 -4.285 -8.936 1.00 0.95 C ATOM 1596 O SER A 93 7.846 -4.383 -8.222 1.00 0.79 O ATOM 1597 CB SER A 93 9.417 -1.840 -8.909 1.00 1.67 C ATOM 1598 OG SER A 93 10.820 -1.718 -8.722 1.00 2.32 O ATOM 0 H SER A 93 7.261 -2.049 -10.168 1.00 1.35 H new ATOM 0 HA SER A 93 9.902 -3.229 -10.470 1.00 1.32 H new ATOM 0 HB2 SER A 93 9.029 -0.929 -9.365 1.00 1.67 H new ATOM 0 HB3 SER A 93 8.928 -1.945 -7.941 1.00 1.67 H new ATOM 0 HG SER A 93 11.143 -2.463 -8.174 1.00 2.32 H new ATOM 1604 N LEU A 94 9.762 -5.238 -9.013 1.00 0.99 N ATOM 1605 CA LEU A 94 9.608 -6.484 -8.278 1.00 0.89 C ATOM 1606 C LEU A 94 10.749 -6.699 -7.289 1.00 1.29 C ATOM 1607 O LEU A 94 11.922 -6.677 -7.664 1.00 1.99 O ATOM 1608 CB LEU A 94 9.461 -7.674 -9.245 1.00 1.28 C ATOM 1609 CG LEU A 94 10.352 -7.658 -10.496 1.00 1.37 C ATOM 1610 CD1 LEU A 94 11.741 -8.205 -10.202 1.00 1.82 C ATOM 1611 CD2 LEU A 94 9.697 -8.453 -11.616 1.00 2.04 C ATOM 0 H LEU A 94 10.613 -5.174 -9.572 1.00 0.99 H new ATOM 0 HA LEU A 94 8.691 -6.415 -7.692 1.00 0.89 H new ATOM 0 HB2 LEU A 94 9.667 -8.590 -8.692 1.00 1.28 H new ATOM 0 HB3 LEU A 94 8.421 -7.724 -9.568 1.00 1.28 H new ATOM 0 HG LEU A 94 10.465 -6.621 -10.812 1.00 1.37 H new ATOM 0 HD11 LEU A 94 12.343 -8.178 -11.111 1.00 1.82 H new ATOM 0 HD12 LEU A 94 12.217 -7.596 -9.433 1.00 1.82 H new ATOM 0 HD13 LEU A 94 11.660 -9.234 -9.851 1.00 1.82 H new ATOM 0 HD21 LEU A 94 10.337 -8.435 -12.498 1.00 2.04 H new ATOM 0 HD22 LEU A 94 9.552 -9.484 -11.294 1.00 2.04 H new ATOM 0 HD23 LEU A 94 8.731 -8.010 -11.860 1.00 2.04 H new ATOM 1623 N VAL A 95 10.368 -6.861 -6.013 1.00 1.62 N ATOM 1624 CA VAL A 95 11.288 -7.139 -4.899 1.00 2.26 C ATOM 1625 C VAL A 95 12.627 -6.387 -5.034 1.00 1.64 C ATOM 1626 O VAL A 95 13.714 -6.957 -4.911 1.00 1.76 O ATOM 1627 CB VAL A 95 11.497 -8.672 -4.706 1.00 3.39 C ATOM 1628 CG1 VAL A 95 12.232 -9.307 -5.881 1.00 4.29 C ATOM 1629 CG2 VAL A 95 12.207 -8.969 -3.391 1.00 3.92 C ATOM 0 H VAL A 95 9.393 -6.801 -5.721 1.00 1.62 H new ATOM 0 HA VAL A 95 10.815 -6.755 -3.995 1.00 2.26 H new ATOM 0 HB VAL A 95 10.506 -9.125 -4.668 1.00 3.39 H new ATOM 0 HG11 VAL A 95 12.354 -10.375 -5.700 1.00 4.29 H new ATOM 0 HG12 VAL A 95 11.656 -9.157 -6.794 1.00 4.29 H new ATOM 0 HG13 VAL A 95 13.213 -8.844 -5.990 1.00 4.29 H new ATOM 0 HG21 VAL A 95 12.339 -10.046 -3.284 1.00 3.92 H new ATOM 0 HG22 VAL A 95 13.182 -8.482 -3.386 1.00 3.92 H new ATOM 0 HG23 VAL A 95 11.609 -8.592 -2.561 1.00 3.92 H new ATOM 1639 N SER A 96 12.532 -5.090 -5.277 1.00 1.30 N ATOM 1640 CA SER A 96 13.708 -4.254 -5.412 1.00 0.98 C ATOM 1641 C SER A 96 14.252 -3.900 -4.032 1.00 0.84 C ATOM 1642 O SER A 96 13.919 -2.867 -3.459 1.00 0.92 O ATOM 1643 CB SER A 96 13.334 -2.999 -6.195 1.00 1.28 C ATOM 1644 OG SER A 96 12.559 -3.341 -7.335 1.00 1.90 O ATOM 0 H SER A 96 11.647 -4.594 -5.385 1.00 1.30 H new ATOM 0 HA SER A 96 14.489 -4.787 -5.953 1.00 0.98 H new ATOM 0 HB2 SER A 96 12.772 -2.318 -5.556 1.00 1.28 H new ATOM 0 HB3 SER A 96 14.237 -2.473 -6.505 1.00 1.28 H new ATOM 0 HG SER A 96 12.963 -2.947 -8.136 1.00 1.90 H new ATOM 1650 N MET A 97 15.117 -4.759 -3.516 1.00 0.90 N ATOM 1651 CA MET A 97 15.589 -4.651 -2.145 1.00 0.98 C ATOM 1652 C MET A 97 16.527 -3.471 -1.968 1.00 0.85 C ATOM 1653 O MET A 97 16.619 -2.897 -0.883 1.00 1.03 O ATOM 1654 CB MET A 97 16.292 -5.944 -1.727 1.00 1.25 C ATOM 1655 CG MET A 97 15.372 -7.154 -1.697 1.00 1.56 C ATOM 1656 SD MET A 97 16.244 -8.691 -1.330 1.00 2.24 S ATOM 1657 CE MET A 97 16.950 -8.315 0.274 1.00 2.85 C ATOM 0 H MET A 97 15.510 -5.546 -4.032 1.00 0.90 H new ATOM 0 HA MET A 97 14.721 -4.487 -1.507 1.00 0.98 H new ATOM 0 HB2 MET A 97 17.114 -6.140 -2.416 1.00 1.25 H new ATOM 0 HB3 MET A 97 16.730 -5.806 -0.738 1.00 1.25 H new ATOM 0 HG2 MET A 97 14.596 -6.995 -0.949 1.00 1.56 H new ATOM 0 HG3 MET A 97 14.871 -7.247 -2.661 1.00 1.56 H new ATOM 0 HE1 MET A 97 17.271 -9.239 0.756 1.00 2.85 H new ATOM 0 HE2 MET A 97 17.808 -7.655 0.148 1.00 2.85 H new ATOM 0 HE3 MET A 97 16.201 -7.823 0.895 1.00 2.85 H new ATOM 1667 N SER A 98 17.209 -3.101 -3.034 1.00 0.68 N ATOM 1668 CA SER A 98 18.194 -2.034 -2.968 1.00 0.71 C ATOM 1669 C SER A 98 17.588 -0.691 -3.367 1.00 0.61 C ATOM 1670 O SER A 98 18.274 0.330 -3.371 1.00 0.71 O ATOM 1671 CB SER A 98 19.381 -2.368 -3.867 1.00 0.83 C ATOM 1672 OG SER A 98 19.917 -3.640 -3.538 1.00 1.60 O ATOM 0 H SER A 98 17.101 -3.522 -3.957 1.00 0.68 H new ATOM 0 HA SER A 98 18.536 -1.950 -1.936 1.00 0.71 H new ATOM 0 HB2 SER A 98 19.067 -2.359 -4.911 1.00 0.83 H new ATOM 0 HB3 SER A 98 20.151 -1.604 -3.759 1.00 0.83 H new ATOM 0 HG SER A 98 20.676 -3.837 -4.126 1.00 1.60 H new ATOM 1678 N ALA A 99 16.303 -0.692 -3.689 1.00 0.49 N ATOM 1679 CA ALA A 99 15.629 0.525 -4.118 1.00 0.46 C ATOM 1680 C ALA A 99 15.141 1.331 -2.924 1.00 0.43 C ATOM 1681 O ALA A 99 14.593 0.777 -1.965 1.00 0.44 O ATOM 1682 CB ALA A 99 14.467 0.186 -5.036 1.00 0.51 C ATOM 0 H ALA A 99 15.707 -1.519 -3.662 1.00 0.49 H new ATOM 0 HA ALA A 99 16.347 1.135 -4.666 1.00 0.46 H new ATOM 0 HB1 ALA A 99 13.971 1.105 -5.350 1.00 0.51 H new ATOM 0 HB2 ALA A 99 14.839 -0.344 -5.913 1.00 0.51 H new ATOM 0 HB3 ALA A 99 13.756 -0.447 -4.505 1.00 0.51 H new ATOM 1688 N THR A 100 15.352 2.639 -2.979 1.00 0.42 N ATOM 1689 CA THR A 100 14.873 3.532 -1.938 1.00 0.41 C ATOM 1690 C THR A 100 13.456 3.990 -2.253 1.00 0.41 C ATOM 1691 O THR A 100 13.039 3.975 -3.414 1.00 0.40 O ATOM 1692 CB THR A 100 15.774 4.776 -1.798 1.00 0.41 C ATOM 1693 OG1 THR A 100 15.800 5.498 -3.033 1.00 0.38 O ATOM 1694 CG2 THR A 100 17.189 4.385 -1.404 1.00 0.47 C ATOM 0 H THR A 100 15.853 3.104 -3.736 1.00 0.42 H new ATOM 0 HA THR A 100 14.892 2.977 -1.000 1.00 0.41 H new ATOM 0 HB THR A 100 15.361 5.409 -1.012 1.00 0.41 H new ATOM 0 HG1 THR A 100 16.343 5.009 -3.686 1.00 0.38 H new ATOM 0 HG21 THR A 100 17.802 5.282 -1.312 1.00 0.47 H new ATOM 0 HG22 THR A 100 17.169 3.860 -0.449 1.00 0.47 H new ATOM 0 HG23 THR A 100 17.612 3.733 -2.168 1.00 0.47 H new ATOM 1702 N MET A 101 12.720 4.399 -1.227 1.00 0.43 N ATOM 1703 CA MET A 101 11.370 4.912 -1.425 1.00 0.45 C ATOM 1704 C MET A 101 11.388 6.160 -2.297 1.00 0.39 C ATOM 1705 O MET A 101 10.429 6.432 -3.014 1.00 0.39 O ATOM 1706 CB MET A 101 10.699 5.211 -0.086 1.00 0.54 C ATOM 1707 CG MET A 101 10.418 3.964 0.727 1.00 0.71 C ATOM 1708 SD MET A 101 9.417 2.769 -0.175 1.00 1.18 S ATOM 1709 CE MET A 101 9.435 1.399 0.970 1.00 0.89 C ATOM 0 H MET A 101 13.032 4.386 -0.256 1.00 0.43 H new ATOM 0 HA MET A 101 10.791 4.142 -1.935 1.00 0.45 H new ATOM 0 HB2 MET A 101 11.337 5.879 0.493 1.00 0.54 H new ATOM 0 HB3 MET A 101 9.763 5.740 -0.265 1.00 0.54 H new ATOM 0 HG2 MET A 101 11.362 3.500 1.014 1.00 0.71 H new ATOM 0 HG3 MET A 101 9.906 4.242 1.648 1.00 0.71 H new ATOM 0 HE1 MET A 101 8.856 0.573 0.558 1.00 0.89 H new ATOM 0 HE2 MET A 101 10.463 1.075 1.134 1.00 0.89 H new ATOM 0 HE3 MET A 101 8.997 1.711 1.918 1.00 0.89 H new ATOM 1719 N ALA A 102 12.488 6.901 -2.242 1.00 0.38 N ATOM 1720 CA ALA A 102 12.651 8.092 -3.064 1.00 0.37 C ATOM 1721 C ALA A 102 12.591 7.733 -4.544 1.00 0.35 C ATOM 1722 O ALA A 102 11.842 8.340 -5.311 1.00 0.39 O ATOM 1723 CB ALA A 102 13.966 8.780 -2.739 1.00 0.37 C ATOM 0 H ALA A 102 13.282 6.697 -1.635 1.00 0.38 H new ATOM 0 HA ALA A 102 11.834 8.779 -2.844 1.00 0.37 H new ATOM 0 HB1 ALA A 102 14.075 9.669 -3.361 1.00 0.37 H new ATOM 0 HB2 ALA A 102 13.975 9.069 -1.688 1.00 0.37 H new ATOM 0 HB3 ALA A 102 14.792 8.097 -2.935 1.00 0.37 H new ATOM 1729 N GLU A 103 13.371 6.727 -4.930 1.00 0.34 N ATOM 1730 CA GLU A 103 13.398 6.256 -6.310 1.00 0.36 C ATOM 1731 C GLU A 103 12.056 5.657 -6.699 1.00 0.37 C ATOM 1732 O GLU A 103 11.518 5.939 -7.772 1.00 0.39 O ATOM 1733 CB GLU A 103 14.482 5.198 -6.479 1.00 0.39 C ATOM 1734 CG GLU A 103 15.857 5.681 -6.072 1.00 0.40 C ATOM 1735 CD GLU A 103 16.868 4.559 -6.004 1.00 0.43 C ATOM 1736 OE1 GLU A 103 16.973 3.920 -4.937 1.00 0.46 O ATOM 1737 OE2 GLU A 103 17.560 4.311 -7.014 1.00 0.53 O ATOM 0 H GLU A 103 13.995 6.221 -4.302 1.00 0.34 H new ATOM 0 HA GLU A 103 13.610 7.108 -6.955 1.00 0.36 H new ATOM 0 HB2 GLU A 103 14.221 4.322 -5.885 1.00 0.39 H new ATOM 0 HB3 GLU A 103 14.510 4.879 -7.521 1.00 0.39 H new ATOM 0 HG2 GLU A 103 16.200 6.432 -6.783 1.00 0.40 H new ATOM 0 HG3 GLU A 103 15.794 6.169 -5.099 1.00 0.40 H new ATOM 1744 N ILE A 104 11.526 4.827 -5.813 1.00 0.36 N ATOM 1745 CA ILE A 104 10.262 4.149 -6.055 1.00 0.37 C ATOM 1746 C ILE A 104 9.122 5.149 -6.237 1.00 0.36 C ATOM 1747 O ILE A 104 8.353 5.051 -7.190 1.00 0.38 O ATOM 1748 CB ILE A 104 9.923 3.161 -4.917 1.00 0.38 C ATOM 1749 CG1 ILE A 104 10.953 2.027 -4.870 1.00 0.41 C ATOM 1750 CG2 ILE A 104 8.520 2.597 -5.090 1.00 0.39 C ATOM 1751 CD1 ILE A 104 11.021 1.205 -6.143 1.00 0.45 C ATOM 0 H ILE A 104 11.955 4.606 -4.914 1.00 0.36 H new ATOM 0 HA ILE A 104 10.376 3.582 -6.979 1.00 0.37 H new ATOM 0 HB ILE A 104 9.958 3.704 -3.972 1.00 0.38 H new ATOM 0 HG12 ILE A 104 11.937 2.451 -4.670 1.00 0.41 H new ATOM 0 HG13 ILE A 104 10.715 1.367 -4.036 1.00 0.41 H new ATOM 0 HG21 ILE A 104 8.304 1.904 -4.277 1.00 0.39 H new ATOM 0 HG22 ILE A 104 7.796 3.412 -5.075 1.00 0.39 H new ATOM 0 HG23 ILE A 104 8.454 2.071 -6.042 1.00 0.39 H new ATOM 0 HD11 ILE A 104 11.772 0.423 -6.032 1.00 0.45 H new ATOM 0 HD12 ILE A 104 10.049 0.750 -6.335 1.00 0.45 H new ATOM 0 HD13 ILE A 104 11.290 1.851 -6.979 1.00 0.45 H new ATOM 1763 N TYR A 105 9.031 6.123 -5.342 1.00 0.36 N ATOM 1764 CA TYR A 105 7.989 7.142 -5.428 1.00 0.39 C ATOM 1765 C TYR A 105 8.160 7.970 -6.694 1.00 0.41 C ATOM 1766 O TYR A 105 7.187 8.299 -7.371 1.00 0.44 O ATOM 1767 CB TYR A 105 8.034 8.050 -4.195 1.00 0.42 C ATOM 1768 CG TYR A 105 7.019 9.173 -4.210 1.00 0.48 C ATOM 1769 CD1 TYR A 105 5.661 8.904 -4.255 1.00 1.12 C ATOM 1770 CD2 TYR A 105 7.425 10.503 -4.174 1.00 1.45 C ATOM 1771 CE1 TYR A 105 4.731 9.923 -4.266 1.00 1.11 C ATOM 1772 CE2 TYR A 105 6.498 11.531 -4.181 1.00 1.56 C ATOM 1773 CZ TYR A 105 5.152 11.233 -4.227 1.00 0.71 C ATOM 1774 OH TYR A 105 4.220 12.249 -4.235 1.00 0.86 O ATOM 0 H TYR A 105 9.664 6.231 -4.549 1.00 0.36 H new ATOM 0 HA TYR A 105 7.020 6.645 -5.464 1.00 0.39 H new ATOM 0 HB2 TYR A 105 7.873 7.442 -3.305 1.00 0.42 H new ATOM 0 HB3 TYR A 105 9.032 8.480 -4.111 1.00 0.42 H new ATOM 0 HD1 TYR A 105 5.324 7.878 -4.282 1.00 1.12 H new ATOM 0 HD2 TYR A 105 8.479 10.737 -4.140 1.00 1.45 H new ATOM 0 HE1 TYR A 105 3.676 9.694 -4.305 1.00 1.11 H new ATOM 0 HE2 TYR A 105 6.826 12.559 -4.151 1.00 1.56 H new ATOM 0 HH TYR A 105 3.395 11.940 -3.805 1.00 0.86 H new ATOM 1784 N ARG A 106 9.412 8.256 -7.025 1.00 0.44 N ATOM 1785 CA ARG A 106 9.751 9.087 -8.172 1.00 0.50 C ATOM 1786 C ARG A 106 9.139 8.530 -9.454 1.00 0.51 C ATOM 1787 O ARG A 106 8.543 9.265 -10.244 1.00 0.58 O ATOM 1788 CB ARG A 106 11.273 9.145 -8.318 1.00 0.56 C ATOM 1789 CG ARG A 106 11.768 10.054 -9.428 1.00 1.25 C ATOM 1790 CD ARG A 106 13.227 9.770 -9.753 1.00 1.75 C ATOM 1791 NE ARG A 106 13.397 8.457 -10.382 1.00 2.50 N ATOM 1792 CZ ARG A 106 14.310 7.555 -10.019 1.00 3.33 C ATOM 1793 NH1 ARG A 106 15.141 7.806 -9.016 1.00 3.62 N ATOM 1794 NH2 ARG A 106 14.388 6.397 -10.665 1.00 4.23 N ATOM 0 H ARG A 106 10.222 7.918 -6.505 1.00 0.44 H new ATOM 0 HA ARG A 106 9.349 10.087 -8.007 1.00 0.50 H new ATOM 0 HB2 ARG A 106 11.703 9.480 -7.374 1.00 0.56 H new ATOM 0 HB3 ARG A 106 11.646 8.137 -8.499 1.00 0.56 H new ATOM 0 HG2 ARG A 106 11.158 9.911 -10.320 1.00 1.25 H new ATOM 0 HG3 ARG A 106 11.654 11.096 -9.128 1.00 1.25 H new ATOM 0 HD2 ARG A 106 13.609 10.544 -10.418 1.00 1.75 H new ATOM 0 HD3 ARG A 106 13.819 9.815 -8.839 1.00 1.75 H new ATOM 0 HE ARG A 106 12.773 8.216 -11.152 1.00 2.50 H new ATOM 0 HH11 ARG A 106 15.084 8.694 -8.517 1.00 3.62 H new ATOM 0 HH12 ARG A 106 15.837 7.111 -8.744 1.00 3.62 H new ATOM 0 HH21 ARG A 106 13.751 6.199 -11.436 1.00 4.23 H new ATOM 0 HH22 ARG A 106 15.085 5.705 -10.390 1.00 4.23 H new ATOM 1808 N ASP A 107 9.269 7.225 -9.638 1.00 0.50 N ATOM 1809 CA ASP A 107 8.855 6.589 -10.882 1.00 0.55 C ATOM 1810 C ASP A 107 7.478 5.946 -10.754 1.00 0.51 C ATOM 1811 O ASP A 107 6.621 6.116 -11.617 1.00 0.62 O ATOM 1812 CB ASP A 107 9.879 5.521 -11.278 1.00 0.61 C ATOM 1813 CG ASP A 107 9.790 5.134 -12.742 1.00 0.96 C ATOM 1814 OD1 ASP A 107 10.430 5.812 -13.577 1.00 1.77 O ATOM 1815 OD2 ASP A 107 9.099 4.147 -13.068 1.00 1.49 O ATOM 0 H ASP A 107 9.657 6.586 -8.944 1.00 0.50 H new ATOM 0 HA ASP A 107 8.799 7.361 -11.650 1.00 0.55 H new ATOM 0 HB2 ASP A 107 10.882 5.890 -11.065 1.00 0.61 H new ATOM 0 HB3 ASP A 107 9.728 4.634 -10.663 1.00 0.61 H new ATOM 1820 N TYR A 108 7.266 5.234 -9.657 1.00 0.41 N ATOM 1821 CA TYR A 108 6.096 4.369 -9.518 1.00 0.39 C ATOM 1822 C TYR A 108 4.985 4.995 -8.678 1.00 0.38 C ATOM 1823 O TYR A 108 4.086 4.286 -8.222 1.00 0.40 O ATOM 1824 CB TYR A 108 6.509 3.029 -8.908 1.00 0.40 C ATOM 1825 CG TYR A 108 7.630 2.347 -9.659 1.00 0.45 C ATOM 1826 CD1 TYR A 108 7.371 1.569 -10.779 1.00 1.20 C ATOM 1827 CD2 TYR A 108 8.947 2.494 -9.252 1.00 1.32 C ATOM 1828 CE1 TYR A 108 8.397 0.957 -11.471 1.00 1.25 C ATOM 1829 CE2 TYR A 108 9.979 1.885 -9.936 1.00 1.36 C ATOM 1830 CZ TYR A 108 9.699 1.118 -11.046 1.00 0.63 C ATOM 1831 OH TYR A 108 10.722 0.511 -11.741 1.00 0.75 O ATOM 0 H TYR A 108 7.887 5.236 -8.848 1.00 0.41 H new ATOM 0 HA TYR A 108 5.693 4.222 -10.520 1.00 0.39 H new ATOM 0 HB2 TYR A 108 6.818 3.188 -7.875 1.00 0.40 H new ATOM 0 HB3 TYR A 108 5.643 2.367 -8.883 1.00 0.40 H new ATOM 0 HD1 TYR A 108 6.352 1.441 -11.114 1.00 1.20 H new ATOM 0 HD2 TYR A 108 9.169 3.096 -8.384 1.00 1.32 H new ATOM 0 HE1 TYR A 108 8.181 0.355 -12.341 1.00 1.25 H new ATOM 0 HE2 TYR A 108 10.999 2.009 -9.604 1.00 1.36 H new ATOM 0 HH TYR A 108 11.578 0.723 -11.314 1.00 0.75 H new ATOM 1841 N LYS A 109 5.044 6.306 -8.454 1.00 0.42 N ATOM 1842 CA LYS A 109 3.929 7.011 -7.818 1.00 0.45 C ATOM 1843 C LYS A 109 2.643 6.756 -8.606 1.00 0.43 C ATOM 1844 O LYS A 109 2.636 6.817 -9.842 1.00 0.49 O ATOM 1845 CB LYS A 109 4.219 8.514 -7.737 1.00 0.55 C ATOM 1846 CG LYS A 109 4.481 9.154 -9.087 1.00 0.98 C ATOM 1847 CD LYS A 109 5.047 10.556 -8.954 1.00 0.95 C ATOM 1848 CE LYS A 109 5.293 11.179 -10.317 1.00 1.05 C ATOM 1849 NZ LYS A 109 6.117 10.300 -11.192 1.00 1.82 N ATOM 0 H LYS A 109 5.839 6.896 -8.699 1.00 0.42 H new ATOM 0 HA LYS A 109 3.805 6.635 -6.803 1.00 0.45 H new ATOM 0 HB2 LYS A 109 3.373 9.014 -7.265 1.00 0.55 H new ATOM 0 HB3 LYS A 109 5.084 8.675 -7.094 1.00 0.55 H new ATOM 0 HG2 LYS A 109 5.177 8.535 -9.652 1.00 0.98 H new ATOM 0 HG3 LYS A 109 3.552 9.191 -9.657 1.00 0.98 H new ATOM 0 HD2 LYS A 109 4.355 11.178 -8.386 1.00 0.95 H new ATOM 0 HD3 LYS A 109 5.981 10.523 -8.392 1.00 0.95 H new ATOM 0 HE2 LYS A 109 4.337 11.380 -10.802 1.00 1.05 H new ATOM 0 HE3 LYS A 109 5.795 12.139 -10.192 1.00 1.05 H new ATOM 0 HZ1 LYS A 109 6.432 10.837 -12.025 1.00 1.82 H new ATOM 0 HZ2 LYS A 109 6.947 9.964 -10.663 1.00 1.82 H new ATOM 0 HZ3 LYS A 109 5.549 9.485 -11.499 1.00 1.82 H new ATOM 1863 N ASP A 110 1.566 6.447 -7.898 1.00 0.39 N ATOM 1864 CA ASP A 110 0.315 6.081 -8.546 1.00 0.43 C ATOM 1865 C ASP A 110 -0.481 7.327 -8.925 1.00 0.50 C ATOM 1866 O ASP A 110 -0.019 8.444 -8.692 1.00 0.51 O ATOM 1867 CB ASP A 110 -0.508 5.166 -7.634 1.00 0.48 C ATOM 1868 CG ASP A 110 -1.506 4.321 -8.397 1.00 0.60 C ATOM 1869 OD1 ASP A 110 -2.614 4.809 -8.678 1.00 1.20 O ATOM 1870 OD2 ASP A 110 -1.189 3.160 -8.721 1.00 1.35 O ATOM 0 H ASP A 110 1.533 6.442 -6.879 1.00 0.39 H new ATOM 0 HA ASP A 110 0.546 5.537 -9.462 1.00 0.43 H new ATOM 0 HB2 ASP A 110 0.165 4.513 -7.079 1.00 0.48 H new ATOM 0 HB3 ASP A 110 -1.039 5.773 -6.901 1.00 0.48 H new ATOM 1875 N GLU A 111 -1.670 7.149 -9.483 1.00 0.60 N ATOM 1876 CA GLU A 111 -2.452 8.267 -10.006 1.00 0.71 C ATOM 1877 C GLU A 111 -2.874 9.228 -8.897 1.00 0.65 C ATOM 1878 O GLU A 111 -2.960 10.441 -9.107 1.00 0.74 O ATOM 1879 CB GLU A 111 -3.677 7.746 -10.763 1.00 0.87 C ATOM 1880 CG GLU A 111 -4.559 6.816 -9.946 1.00 1.94 C ATOM 1881 CD GLU A 111 -5.630 6.147 -10.779 1.00 2.43 C ATOM 1882 OE1 GLU A 111 -5.328 5.121 -11.427 1.00 2.86 O ATOM 1883 OE2 GLU A 111 -6.775 6.643 -10.799 1.00 2.97 O ATOM 0 H GLU A 111 -2.118 6.239 -9.587 1.00 0.60 H new ATOM 0 HA GLU A 111 -1.819 8.824 -10.696 1.00 0.71 H new ATOM 0 HB2 GLU A 111 -4.273 8.595 -11.097 1.00 0.87 H new ATOM 0 HB3 GLU A 111 -3.342 7.220 -11.657 1.00 0.87 H new ATOM 0 HG2 GLU A 111 -3.939 6.052 -9.477 1.00 1.94 H new ATOM 0 HG3 GLU A 111 -5.030 7.382 -9.142 1.00 1.94 H new ATOM 1890 N ASP A 112 -3.119 8.695 -7.709 1.00 0.57 N ATOM 1891 CA ASP A 112 -3.528 9.526 -6.588 1.00 0.55 C ATOM 1892 C ASP A 112 -2.320 10.069 -5.835 1.00 0.52 C ATOM 1893 O ASP A 112 -2.443 10.987 -5.026 1.00 0.56 O ATOM 1894 CB ASP A 112 -4.443 8.757 -5.635 1.00 0.59 C ATOM 1895 CG ASP A 112 -3.874 7.425 -5.201 1.00 0.58 C ATOM 1896 OD1 ASP A 112 -2.690 7.369 -4.822 1.00 0.77 O ATOM 1897 OD2 ASP A 112 -4.620 6.423 -5.236 1.00 0.63 O ATOM 0 H ASP A 112 -3.043 7.700 -7.498 1.00 0.57 H new ATOM 0 HA ASP A 112 -4.086 10.369 -6.995 1.00 0.55 H new ATOM 0 HB2 ASP A 112 -4.632 9.368 -4.752 1.00 0.59 H new ATOM 0 HB3 ASP A 112 -5.405 8.592 -6.120 1.00 0.59 H new ATOM 1902 N GLY A 113 -1.149 9.524 -6.130 1.00 0.47 N ATOM 1903 CA GLY A 113 0.067 10.008 -5.507 1.00 0.45 C ATOM 1904 C GLY A 113 0.654 9.034 -4.505 1.00 0.36 C ATOM 1905 O GLY A 113 1.817 9.164 -4.125 1.00 0.37 O ATOM 0 H GLY A 113 -1.018 8.756 -6.789 1.00 0.47 H new ATOM 0 HA2 GLY A 113 0.807 10.213 -6.281 1.00 0.45 H new ATOM 0 HA3 GLY A 113 -0.141 10.953 -5.006 1.00 0.45 H new ATOM 1909 N PHE A 114 -0.136 8.064 -4.063 1.00 0.39 N ATOM 1910 CA PHE A 114 0.358 7.061 -3.129 1.00 0.34 C ATOM 1911 C PHE A 114 1.184 6.018 -3.864 1.00 0.34 C ATOM 1912 O PHE A 114 1.050 5.849 -5.077 1.00 0.40 O ATOM 1913 CB PHE A 114 -0.794 6.368 -2.393 1.00 0.37 C ATOM 1914 CG PHE A 114 -1.469 7.218 -1.355 1.00 0.41 C ATOM 1915 CD1 PHE A 114 -0.796 7.583 -0.203 1.00 1.03 C ATOM 1916 CD2 PHE A 114 -2.780 7.638 -1.522 1.00 1.30 C ATOM 1917 CE1 PHE A 114 -1.413 8.353 0.762 1.00 1.03 C ATOM 1918 CE2 PHE A 114 -3.401 8.411 -0.560 1.00 1.35 C ATOM 1919 CZ PHE A 114 -2.715 8.768 0.583 1.00 0.54 C ATOM 0 H PHE A 114 -1.113 7.951 -4.333 1.00 0.39 H new ATOM 0 HA PHE A 114 0.981 7.573 -2.396 1.00 0.34 H new ATOM 0 HB2 PHE A 114 -1.537 6.051 -3.124 1.00 0.37 H new ATOM 0 HB3 PHE A 114 -0.413 5.466 -1.914 1.00 0.37 H new ATOM 0 HD1 PHE A 114 0.225 7.262 -0.057 1.00 1.03 H new ATOM 0 HD2 PHE A 114 -3.321 7.358 -2.414 1.00 1.30 H new ATOM 0 HE1 PHE A 114 -0.876 8.630 1.657 1.00 1.03 H new ATOM 0 HE2 PHE A 114 -4.421 8.735 -0.702 1.00 1.35 H new ATOM 0 HZ PHE A 114 -3.198 9.372 1.337 1.00 0.54 H new ATOM 1929 N VAL A 115 2.052 5.332 -3.139 1.00 0.29 N ATOM 1930 CA VAL A 115 2.794 4.224 -3.718 1.00 0.30 C ATOM 1931 C VAL A 115 2.150 2.910 -3.301 1.00 0.27 C ATOM 1932 O VAL A 115 2.234 2.513 -2.142 1.00 0.31 O ATOM 1933 CB VAL A 115 4.270 4.227 -3.277 1.00 0.37 C ATOM 1934 CG1 VAL A 115 5.057 3.166 -4.031 1.00 0.89 C ATOM 1935 CG2 VAL A 115 4.891 5.598 -3.479 1.00 1.06 C ATOM 0 H VAL A 115 2.259 5.520 -2.158 1.00 0.29 H new ATOM 0 HA VAL A 115 2.766 4.336 -4.802 1.00 0.30 H new ATOM 0 HB VAL A 115 4.307 3.991 -2.214 1.00 0.37 H new ATOM 0 HG11 VAL A 115 6.097 3.184 -3.705 1.00 0.89 H new ATOM 0 HG12 VAL A 115 4.630 2.184 -3.828 1.00 0.89 H new ATOM 0 HG13 VAL A 115 5.008 3.369 -5.101 1.00 0.89 H new ATOM 0 HG21 VAL A 115 5.933 5.576 -3.161 1.00 1.06 H new ATOM 0 HG22 VAL A 115 4.839 5.869 -4.533 1.00 1.06 H new ATOM 0 HG23 VAL A 115 4.347 6.335 -2.888 1.00 1.06 H new ATOM 1945 N TYR A 116 1.507 2.242 -4.243 1.00 0.33 N ATOM 1946 CA TYR A 116 0.792 1.012 -3.943 1.00 0.34 C ATOM 1947 C TYR A 116 1.674 -0.203 -4.166 1.00 0.38 C ATOM 1948 O TYR A 116 2.212 -0.413 -5.256 1.00 0.49 O ATOM 1949 CB TYR A 116 -0.485 0.908 -4.776 1.00 0.39 C ATOM 1950 CG TYR A 116 -1.524 1.931 -4.386 1.00 0.39 C ATOM 1951 CD1 TYR A 116 -1.457 3.227 -4.867 1.00 1.19 C ATOM 1952 CD2 TYR A 116 -2.560 1.601 -3.523 1.00 1.28 C ATOM 1953 CE1 TYR A 116 -2.393 4.171 -4.503 1.00 1.19 C ATOM 1954 CE2 TYR A 116 -3.503 2.541 -3.155 1.00 1.31 C ATOM 1955 CZ TYR A 116 -3.412 3.825 -3.646 1.00 0.48 C ATOM 1956 OH TYR A 116 -4.345 4.769 -3.283 1.00 0.54 O ATOM 0 H TYR A 116 1.465 2.529 -5.221 1.00 0.33 H new ATOM 0 HA TYR A 116 0.514 1.038 -2.889 1.00 0.34 H new ATOM 0 HB2 TYR A 116 -0.237 1.033 -5.830 1.00 0.39 H new ATOM 0 HB3 TYR A 116 -0.906 -0.091 -4.664 1.00 0.39 H new ATOM 0 HD1 TYR A 116 -0.658 3.503 -5.539 1.00 1.19 H new ATOM 0 HD2 TYR A 116 -2.630 0.596 -3.134 1.00 1.28 H new ATOM 0 HE1 TYR A 116 -2.327 5.178 -4.889 1.00 1.19 H new ATOM 0 HE2 TYR A 116 -4.307 2.271 -2.486 1.00 1.31 H new ATOM 0 HH TYR A 116 -4.676 5.227 -4.084 1.00 0.54 H new ATOM 1966 N MET A 117 1.820 -0.992 -3.118 1.00 0.35 N ATOM 1967 CA MET A 117 2.634 -2.189 -3.170 1.00 0.39 C ATOM 1968 C MET A 117 1.785 -3.408 -2.864 1.00 0.34 C ATOM 1969 O MET A 117 1.044 -3.434 -1.880 1.00 0.45 O ATOM 1970 CB MET A 117 3.792 -2.093 -2.175 1.00 0.49 C ATOM 1971 CG MET A 117 4.680 -0.884 -2.398 1.00 0.65 C ATOM 1972 SD MET A 117 6.053 -0.799 -1.234 1.00 0.70 S ATOM 1973 CE MET A 117 6.869 0.695 -1.791 1.00 1.19 C ATOM 0 H MET A 117 1.381 -0.822 -2.213 1.00 0.35 H new ATOM 0 HA MET A 117 3.046 -2.286 -4.174 1.00 0.39 H new ATOM 0 HB2 MET A 117 3.389 -2.057 -1.163 1.00 0.49 H new ATOM 0 HB3 MET A 117 4.397 -2.997 -2.245 1.00 0.49 H new ATOM 0 HG2 MET A 117 5.073 -0.910 -3.414 1.00 0.65 H new ATOM 0 HG3 MET A 117 4.080 0.022 -2.312 1.00 0.65 H new ATOM 0 HE1 MET A 117 7.940 0.616 -1.604 1.00 1.19 H new ATOM 0 HE2 MET A 117 6.696 0.828 -2.859 1.00 1.19 H new ATOM 0 HE3 MET A 117 6.469 1.552 -1.249 1.00 1.19 H new ATOM 1983 N THR A 118 1.890 -4.406 -3.712 1.00 0.34 N ATOM 1984 CA THR A 118 1.166 -5.647 -3.525 1.00 0.33 C ATOM 1985 C THR A 118 2.091 -6.712 -2.966 1.00 0.33 C ATOM 1986 O THR A 118 3.205 -6.892 -3.460 1.00 0.37 O ATOM 1987 CB THR A 118 0.580 -6.151 -4.854 1.00 0.43 C ATOM 1988 OG1 THR A 118 1.510 -5.910 -5.917 1.00 0.92 O ATOM 1989 CG2 THR A 118 -0.749 -5.484 -5.167 1.00 0.85 C ATOM 0 H THR A 118 2.476 -4.383 -4.547 1.00 0.34 H new ATOM 0 HA THR A 118 0.352 -5.453 -2.826 1.00 0.33 H new ATOM 0 HB THR A 118 0.402 -7.222 -4.758 1.00 0.43 H new ATOM 0 HG1 THR A 118 1.133 -6.234 -6.761 1.00 0.92 H new ATOM 0 HG21 THR A 118 -1.133 -5.865 -6.113 1.00 0.85 H new ATOM 0 HG22 THR A 118 -1.462 -5.702 -4.372 1.00 0.85 H new ATOM 0 HG23 THR A 118 -0.607 -4.406 -5.241 1.00 0.85 H new ATOM 1997 N TYR A 119 1.638 -7.422 -1.949 1.00 0.35 N ATOM 1998 CA TYR A 119 2.446 -8.477 -1.365 1.00 0.41 C ATOM 1999 C TYR A 119 1.700 -9.804 -1.425 1.00 0.48 C ATOM 2000 O TYR A 119 0.474 -9.851 -1.266 1.00 0.49 O ATOM 2001 CB TYR A 119 2.855 -8.117 0.074 1.00 0.42 C ATOM 2002 CG TYR A 119 1.768 -8.274 1.119 1.00 0.39 C ATOM 2003 CD1 TYR A 119 0.584 -7.554 1.043 1.00 1.18 C ATOM 2004 CD2 TYR A 119 1.944 -9.138 2.191 1.00 1.09 C ATOM 2005 CE1 TYR A 119 -0.399 -7.694 2.006 1.00 1.20 C ATOM 2006 CE2 TYR A 119 0.967 -9.286 3.157 1.00 1.15 C ATOM 2007 CZ TYR A 119 -0.203 -8.562 3.058 1.00 0.56 C ATOM 2008 OH TYR A 119 -1.182 -8.701 4.016 1.00 0.70 O ATOM 0 H TYR A 119 0.725 -7.290 -1.514 1.00 0.35 H new ATOM 0 HA TYR A 119 3.363 -8.582 -1.945 1.00 0.41 H new ATOM 0 HB2 TYR A 119 3.702 -8.741 0.359 1.00 0.42 H new ATOM 0 HB3 TYR A 119 3.201 -7.084 0.087 1.00 0.42 H new ATOM 0 HD1 TYR A 119 0.428 -6.874 0.219 1.00 1.18 H new ATOM 0 HD2 TYR A 119 2.860 -9.704 2.271 1.00 1.09 H new ATOM 0 HE1 TYR A 119 -1.315 -7.126 1.934 1.00 1.20 H new ATOM 0 HE2 TYR A 119 1.118 -9.964 3.984 1.00 1.15 H new ATOM 0 HH TYR A 119 -0.891 -9.351 4.689 1.00 0.70 H new ATOM 2018 N ALA A 120 2.440 -10.870 -1.691 1.00 0.57 N ATOM 2019 CA ALA A 120 1.867 -12.199 -1.828 1.00 0.71 C ATOM 2020 C ALA A 120 2.912 -13.253 -1.494 1.00 0.84 C ATOM 2021 O ALA A 120 4.097 -13.063 -1.753 1.00 0.86 O ATOM 2022 CB ALA A 120 1.350 -12.402 -3.246 1.00 0.79 C ATOM 0 H ALA A 120 3.452 -10.838 -1.818 1.00 0.57 H new ATOM 0 HA ALA A 120 1.033 -12.298 -1.134 1.00 0.71 H new ATOM 0 HB1 ALA A 120 0.923 -13.401 -3.338 1.00 0.79 H new ATOM 0 HB2 ALA A 120 0.584 -11.658 -3.464 1.00 0.79 H new ATOM 0 HB3 ALA A 120 2.173 -12.293 -3.952 1.00 0.79 H new ATOM 2028 N SER A 121 2.461 -14.362 -0.923 1.00 1.00 N ATOM 2029 CA SER A 121 3.355 -15.429 -0.505 1.00 1.16 C ATOM 2030 C SER A 121 3.890 -16.163 -1.726 1.00 0.69 C ATOM 2031 O SER A 121 5.024 -16.634 -1.733 1.00 1.07 O ATOM 2032 CB SER A 121 2.625 -16.403 0.426 1.00 1.88 C ATOM 2033 OG SER A 121 3.527 -17.336 1.004 1.00 2.69 O ATOM 0 H SER A 121 1.475 -14.545 -0.739 1.00 1.00 H new ATOM 0 HA SER A 121 4.192 -14.995 0.041 1.00 1.16 H new ATOM 0 HB2 SER A 121 2.119 -15.846 1.215 1.00 1.88 H new ATOM 0 HB3 SER A 121 1.855 -16.936 -0.132 1.00 1.88 H new ATOM 0 HG SER A 121 4.318 -16.863 1.336 1.00 2.69 H new ATOM 2039 N GLN A 122 3.066 -16.244 -2.756 1.00 1.13 N ATOM 2040 CA GLN A 122 3.462 -16.869 -4.004 1.00 1.61 C ATOM 2041 C GLN A 122 2.910 -16.073 -5.176 1.00 2.23 C ATOM 2042 O GLN A 122 1.853 -15.444 -5.071 1.00 2.63 O ATOM 2043 CB GLN A 122 2.974 -18.319 -4.068 1.00 2.34 C ATOM 2044 CG GLN A 122 1.464 -18.473 -3.985 1.00 2.78 C ATOM 2045 CD GLN A 122 1.020 -19.916 -4.097 1.00 3.64 C ATOM 2046 OE1 GLN A 122 0.910 -20.622 -3.096 1.00 4.18 O ATOM 2047 NE2 GLN A 122 0.768 -20.364 -5.316 1.00 4.22 N ATOM 0 H GLN A 122 2.112 -15.882 -2.751 1.00 1.13 H new ATOM 0 HA GLN A 122 4.551 -16.877 -4.058 1.00 1.61 H new ATOM 0 HB2 GLN A 122 3.323 -18.767 -4.998 1.00 2.34 H new ATOM 0 HB3 GLN A 122 3.430 -18.880 -3.253 1.00 2.34 H new ATOM 0 HG2 GLN A 122 1.112 -18.060 -3.040 1.00 2.78 H new ATOM 0 HG3 GLN A 122 0.999 -17.891 -4.780 1.00 2.78 H new ATOM 0 HE21 GLN A 122 0.872 -19.744 -6.119 1.00 4.22 H new ATOM 0 HE22 GLN A 122 0.470 -21.330 -5.453 1.00 4.22 H new ATOM 2056 N GLU A 123 3.636 -16.091 -6.280 1.00 2.65 N ATOM 2057 CA GLU A 123 3.237 -15.360 -7.471 1.00 3.47 C ATOM 2058 C GLU A 123 2.461 -16.261 -8.417 1.00 4.01 C ATOM 2059 O GLU A 123 2.620 -17.483 -8.402 1.00 4.36 O ATOM 2060 CB GLU A 123 4.465 -14.821 -8.206 1.00 3.93 C ATOM 2061 CG GLU A 123 5.303 -13.846 -7.401 1.00 4.58 C ATOM 2062 CD GLU A 123 6.538 -13.406 -8.158 1.00 5.36 C ATOM 2063 OE1 GLU A 123 7.571 -14.103 -8.071 1.00 5.57 O ATOM 2064 OE2 GLU A 123 6.481 -12.372 -8.858 1.00 6.07 O ATOM 0 H GLU A 123 4.510 -16.607 -6.377 1.00 2.65 H new ATOM 0 HA GLU A 123 2.605 -14.531 -7.155 1.00 3.47 H new ATOM 0 HB2 GLU A 123 5.093 -15.661 -8.503 1.00 3.93 H new ATOM 0 HB3 GLU A 123 4.138 -14.329 -9.122 1.00 3.93 H new ATOM 0 HG2 GLU A 123 4.702 -12.973 -7.148 1.00 4.58 H new ATOM 0 HG3 GLU A 123 5.600 -14.312 -6.461 1.00 4.58 H new ATOM 2071 N THR A 124 1.635 -15.649 -9.250 1.00 4.46 N ATOM 2072 CA THR A 124 0.964 -16.359 -10.321 1.00 5.15 C ATOM 2073 C THR A 124 1.874 -16.397 -11.547 1.00 5.52 C ATOM 2074 O THR A 124 1.480 -15.996 -12.647 1.00 6.17 O ATOM 2075 CB THR A 124 -0.373 -15.681 -10.673 1.00 5.88 C ATOM 2076 OG1 THR A 124 -0.185 -14.262 -10.776 1.00 5.92 O ATOM 2077 CG2 THR A 124 -1.429 -15.984 -9.619 1.00 6.51 C ATOM 0 H THR A 124 1.414 -14.654 -9.202 1.00 4.46 H new ATOM 0 HA THR A 124 0.750 -17.376 -9.992 1.00 5.15 H new ATOM 0 HB THR A 124 -0.717 -16.075 -11.629 1.00 5.88 H new ATOM 0 HG1 THR A 124 -1.038 -13.835 -11.002 1.00 5.92 H new ATOM 0 HG21 THR A 124 -2.364 -15.494 -9.890 1.00 6.51 H new ATOM 0 HG22 THR A 124 -1.587 -17.061 -9.561 1.00 6.51 H new ATOM 0 HG23 THR A 124 -1.093 -15.614 -8.650 1.00 6.51 H new ATOM 2085 N PHE A 125 3.098 -16.878 -11.322 1.00 5.46 N ATOM 2086 CA PHE A 125 4.163 -16.869 -12.324 1.00 6.16 C ATOM 2087 C PHE A 125 4.600 -15.437 -12.639 1.00 6.88 C ATOM 2088 O PHE A 125 4.084 -14.476 -12.060 1.00 7.17 O ATOM 2089 CB PHE A 125 3.739 -17.612 -13.598 1.00 6.69 C ATOM 2090 CG PHE A 125 3.450 -19.069 -13.366 1.00 7.02 C ATOM 2091 CD1 PHE A 125 4.483 -19.967 -13.152 1.00 7.20 C ATOM 2092 CD2 PHE A 125 2.148 -19.540 -13.356 1.00 7.48 C ATOM 2093 CE1 PHE A 125 4.221 -21.306 -12.934 1.00 7.81 C ATOM 2094 CE2 PHE A 125 1.880 -20.877 -13.139 1.00 8.12 C ATOM 2095 CZ PHE A 125 2.918 -21.760 -12.927 1.00 8.27 C ATOM 0 H PHE A 125 3.379 -17.288 -10.431 1.00 5.46 H new ATOM 0 HA PHE A 125 5.019 -17.399 -11.906 1.00 6.16 H new ATOM 0 HB2 PHE A 125 2.851 -17.134 -14.011 1.00 6.69 H new ATOM 0 HB3 PHE A 125 4.528 -17.519 -14.344 1.00 6.69 H new ATOM 0 HD1 PHE A 125 5.505 -19.616 -13.156 1.00 7.20 H new ATOM 0 HD2 PHE A 125 1.331 -18.853 -13.520 1.00 7.48 H new ATOM 0 HE1 PHE A 125 5.035 -21.996 -12.769 1.00 7.81 H new ATOM 0 HE2 PHE A 125 0.860 -21.231 -13.135 1.00 8.12 H new ATOM 0 HZ PHE A 125 2.711 -22.806 -12.756 1.00 8.27 H new ATOM 2105 N GLY A 126 5.566 -15.296 -13.532 1.00 7.47 N ATOM 2106 CA GLY A 126 6.084 -13.985 -13.857 1.00 8.43 C ATOM 2107 C GLY A 126 5.495 -13.438 -15.137 1.00 9.49 C ATOM 2108 O GLY A 126 5.167 -14.241 -16.035 1.00 9.97 O ATOM 2109 OXT GLY A 126 5.362 -12.205 -15.252 1.00 10.03 O ATOM 0 H GLY A 126 6.001 -16.067 -14.038 1.00 7.47 H new ATOM 0 HA2 GLY A 126 5.869 -13.298 -13.038 1.00 8.43 H new ATOM 0 HA3 GLY A 126 7.169 -14.038 -13.952 1.00 8.43 H new TER 2113 GLY A 126